PRODUCTS

1,3-DIMETHYLUREA

1,3-Dimethylurea can be used as a starting material to synthesize N,N'-dimethyl-6-amino uracil.
1,3-Dimethylurea is used as an intermediate to make caffeine, pharmachemicals, textile aids, herbicides, paints, and cleaning products
1,3-Dimethylurea is used as an intermediate in the synthesis of theophylline and caffeine, and also used in the production of fiber treatment agents

CAS Number: 96-31-1
EC Number: 202-498-7
MDL number: MFCD00008286
Linear Formula: (CH3NH)2CO
Chemical formula: C3H8N2O
Molar Mass: 88.11 g/mole

SYNONYMS:
Urea, 1,3-dimethyl-, 1,3-Dimethylurea Factory, N,N'-Dimethylurea Factory, 1,3-Dimethylurea COA TDS MSDS, n,n’-dimethylharnstoff , n,n’-dimethyl-ure , N,N'-Dimethylharnstoff, Symmetric dimethylurea, symmetricdimethylurea, 1,3-Dimethylurea, sym-dimethylurea, N,N-Dimethylurea, n,n'-dimethyl-ure, N,N'-dimethylurea, Dimethyl Urea 1,3, symmetricdimethylurea, symmetric dimethylurea, n,n'-dimethylharnstoff, Symmetric dimethylurea, N,N'-Dimethylharnstoff, N,N-dimethylurea (sym.), 1,3-Dimethylurea Factory, N,N'-Dimethylurea Factory, 1,3-Dimethylurea COA TDS MSDS, 1,3-DIMETHYLUREA, N,N'-Dimethylurea, 96-31-1, sym-Dimethylurea, Urea, N,N'-dimethyl-, Symmetric dimethylurea, Urea, 1,3-dimethyl-, 1,3-Dimethyl urea, N,N'-Dimethylharnstoff, dimethyl urea, NSC 14910, BRN 1740672, AI3-24386, MFCD00008286, WAM6DR9I4X, DTXSID5025156, CHEBI:80472, Urea,3-dimethyl-, Urea,N'-dimethyl-, NSC-14910, 1,3-Dimethylurea, 98%, WLN: 1MVM1, CCRIS 2509, HSDB 3423, EINECS 202-498-7, UNII-WAM6DR9I4X, Dimethylharnstoff, 1.3-Dimethylurea, N,N-Dimethyl-Urea, 1,3 dimethyl urea, N,N'-dimethyl urea, N,N'-dimethylurea, 1,1'-Dimethylurea, 1,3-Dimethylcarbamide, 3k3g, bmse000248, EC 202-498-7, UREA,1,3-DIMETHYL, (CH3NH)2CO, DIMETHYL UREA [INCI], DIMETHYLUREA, N,N'-, N,N'-Dimethylurea, ~98%, DTXCID605156, CHEMBL1234380, 1,3-DIMETHYLUREA [HSDB], NSC14910, NSC24823, Tox21_200794, 1,3-Dimethylurea;N,N'-Dimethylurea, BBL011513, NSC-24823, STL146629, AKOS000120912, CS-W013749, PB47928, CAS-96-31-1, NCGC00248834-01, NCGC00258348-01, SY004507, DB-225923, N,N inverted exclamation mark-Dimethylurea, N,N inverted exclamation marka-Dimethylurea, A4569, D0289, NS00005754, EN300-20740, P17517, ethyl 5-oxo-2,3-diphenyl-cyclopentanecarboxylate, A845576, N,N'-Dimethylurea, (sym.), >=99% (from N), Q419740, W-100145, N,N'-Dimethylurea, PESTANAL(R), analytical standard, F0001-2292, N,N'-Dimethylurea, (sym.), >=95.0% (HPLC), technical, InChI=1/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6, DMU, 1,3-Dimethylurea, N,N′-Dimethylurea, Urea,N,N’-dimethyl,UNII-, AM6DR9I4X, MeNHNCONHMe, sym-Dimethylurea,N,N`-Dimethylurea, Expand DMU, N,N'-Dimethylharnstoff [German], N,N'-Dimethylurea, Symmetric dimethylurea, sym-Dimethylurea, Urea, 1,3-dimethyl-, Urea, N,N'-dimethyl-, N,N′-Dimethylurea, DMU, 1,3-Dimethylurea, 1,3-DIMETHYLUREA, N,N'-Dimethylurea, 96-31-1, sym-Dimethylurea, Urea, N,N'-dimethyl-, Symmetric dimethylurea, Urea, 1,3-dimethyl-, N,N'-Dimethylharnstoff, 1,3-Dimethyl urea, NSC 14910, BRN 1740672, AI3-24386, MFCD00008286, WAM6DR9I4X, DMU, DTXSID5025156, CHEBI:80472, Urea,3-dimethyl-, Urea,N'-dimethyl-, NSC-14910, 1,3-Dimethylurea, 98%, WLN: 1MVM1, CCRIS 2509, HSDB 3423, EINECS 202-498-7, UNII-WAM6DR9I4X, Dimethylharnstoff, 1.3-Dimethylurea, N,N-Dimethyl-Urea, 1,3 dimethyl urea, N,N'-dimethyl urea, 1,1'-Dimethylurea, 1,3-Dimethylcarbamide, bmse000248, EC 202-498-7, UREA,1,3-DIMETHYL, (CH3NH)2CO, DIMETHYL UREA [INCI], DIMETHYLUREA, N,N'-, N,N'-Dimethylurea, ~98%, DTXCID605156, CHEMBL1234380, 1,3-DIMETHYLUREA [HSDB], NSC14910, NSC24823, Tox21_200794, 1,3-Dimethylurea;N,N'-Dimethylurea, NSC-24823, AKOS000120912, CS-W013749, PB47928, CAS-96-31-1, NCGC00248834-01, NCGC00258348-01, SY004507, N,N inverted exclamation mark -Dimethylurea, A4569, D0289, FT-0606700, EN300-20740, P17517, ethyl 5-oxo-2,3-diphenyl cyclopentanecarboxylate, A845576, N,N'-Dimethylurea, (sym.), >=99% (from N), Q419740, W-100145, N,N'-Dimethylurea, PESTANAL(R), analytical standard, F0001-2292, N,N'-Dimethylurea, (sym.), >=95.0% (HPLC), technical, InChI=1/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6), Urea, 1,3-dimethyl-, sym-Dimethylurea, N,N'-Dimethylurea, Symmetric dimethylurea, 1,3-Dimethylurea, (CH3NH)2CO, 1,1'-Dimethylurea, DMU, N,N' Dimethylharnstoff, NSC 14910, (CH3NH)2CO, 1,1'-Dimethylurea, 1,3-dimethylurea, DMU, N,N'-Dimethylharnstoff, N,N'-dimethylurea, NSC 14910, Symmetric dimethylurea, sym-Dimethylurea, urea, 1,3-dimethyl-, syM,N,N'-DIMETHYLUREA, (CH3NH)2CO, AKOS B029718, 1.3-DiMethyl u, 1,3-dimethyl-ure, SYM-DIMETHYLUREA, 1,3-DIMETHYLUREA, n,n’-dimethyl-ure,Dimethylcarbamide, N,N'-Dimethyl urea, 1,3-Dimethylurea, N,N’-dimethyl-Urea, 1,3-dimethyl-ure, n,n’-dimethylharnstoff, n,n’-dimethylharnstoff (german), n,n’-dimethylurea, sym-dimethylurea, Urea, 1,3-dimethyl-, sym-Dimethylurea, N,N'-Dimethylurea, Symmetric dimethylurea, 1,3-Dimethylurea, (CH3NH)2CO, 1,1'-Dimethylurea, DMU, N,N'-Dimethylharnstoff, NSC 14910, Urea, N,N′-dimethyl-, Urea, 1,3-dimethyl-, N,N′-Dimethylurea, 1,3-Dimethylurea, Symmetric dimethylurea, sym-Dimethylurea, NSC 14910, NSC 24823, Urea,1,3-dimethyl- (8CI), N,N'-Dimethylurea, NSC 14910, NSC 24823, Symmetric dimethylurea, sym-Dimethylurea, Urea,N,N’-dimethyl, UNII-WAM6DR9I4X, MeNHNCONHMe, sym-Dimethylurea, N,N`-Dimethylurea, syM, N,N'-DIMETHYLUREA, (CH3NH)2CO, AKOS B029718, 1.3-DiMethyl u, 1,3-dimethyl-ure, SYM-DIMETHYLUREA, 1,3-DIMETHYLUREA, n,n’-dimethyl-ure, Dimethylcarbamide, n,n’-dimethylurea, sym-dimethylurea, urea, n,n’-dimethyl, dimethylurea, symmetric dimethylurea, urea, 1,3-dimethyl, n,n’-dimethylharnstoff, 1,3-dimethyl urea, n,n’-dimethylharnstoff german, unii-wam6dr9i4x, n,n’-dimethylurea, sym-dimethylurea, urea, n,n’-dimethyl, dimethylurea, symmetric dimethylurea, urea, 1,3-dimethyl, n,n’-dimethylharnstoff, 1,3-dimethyl urea, n,n’-dimethylharnstoff german, unii-wam6dr9i4x

1,3-Dimethylurea is an organic compound widely used as an intermediate in chemical synthesis.
1,3-Dimethylurea is insoluble in ether, solubility in water: 765g/l (21.5 c)
1,3-Dimethylurea is also currently used for the production of fiber treatment agents.

1,3-Dimethylurea is off-white flake crystals.
1,3-Dimethylurea is soluble in water, ethanol, acetone, benzene and ethyl acetate, etc., insoluble in ether and gasoline.
1,3-Dimethylurea appears as colorless crystals.

1,3-Dimethylurea appears as colorless crystals.
1,3-Dimethylurea is a member of the class of ureas that is urea substituted by methyl groups at positions 1 and 3.
1,3-Dimethylurea appears as colorless crystals.

1,3-Dimethylurea is a member of the class of ureas that is urea substituted by methyl groups at positions 1 and 3.
1,3-Dimethylurea is known to be incompatible with oxidizing agents and should not be stored or handled in their vicinity.
1,3-Dimethylurea (DMU), systematically named N,N′-Dimethylurea (CAS: 96-31-1), is a urea derivative where two methyl groups are substituted on the nitrogen atoms at positions 1 and 3 of the urea backbone .

1,3-Dimethylurea forms needle-shaped crystals and serves as a versatile intermediate in organic synthesis and industrial processes, including deep eutectic solvents (DES) and pharmaceutical formulations .
1,3-Dimethylurea exhibits nonlinear molecular organization due to its asymmetrical methyl substitution, influencing its physicochemical properties such as solubility, viscosity, and hydrogen-bonding capacity .

1,3-Dimethylurea (DMU) is a urea derivative and is used in agriculture mainly as a component in fertilizers and soil treatments, primarily to improve nitrogen utilization and promote more efficient plant growth.
1,3-Dimethylurea is a colorless crystalline powder with little toxicity.

1,3-Dimethylurea is a versatile organic compound known for its unique properties and applications in various fields.
This white crystalline solid, 1,3-Dimethylurea, is recognized for its ability to act as a nitrogen source in fertilizers, enhancing plant growth and yield.

Its solubility in water makes 1,3-Dimethylurea an excellent choice for agricultural formulations, where it can be easily absorbed by plants.
Additionally, 1,3-Dimethylurea serves as a valuable intermediate in the synthesis of pharmaceuticals and agrochemicals, contributing to the development of innovative products in the chemical industry.

Researchers also utilize 1,3-Dimethylurea in the preparation of polymeric materials and as a reagent in organic synthesis, showcasing its adaptability across different applications.
1,3-Dimethylurea's low toxicity and favorable handling characteristics further enhance its appeal for industrial use.

With its broad range of applications, 1,3-Dimethylurea stands out as a crucial compound for professionals seeking reliable solutions in agriculture and chemical manufacturing.

USES and APPLICATIONS of 1,3-DIMETHYLUREA:
Chemical Industry: Intermediate in Synthesis: 1,3-Dimethylurea is utilized in the production of caffeine, theophylline, pharmaceuticals, textile aids, and herbicides.
Textile Industry: Formaldehyde-Free Finishing Agents: 1,3-Dimethylurea is employed in the manufacture of easy-care textile finishes that do not release formaldehyde.

1,3-Dimethylurea is also used for synthesis of caffeine, theophylline, pharmaceuticals, textile aids, herbicides and others.
In the textile processing industry, 1,3-dimethylurea is used as intermediate for the production of formaldehyde-free easy-care finishing agents for textiles.

The estimated world production of 1,3-Dimethylurea is estimated to be less than 25,000 tons.
1,3-Dimethylurea is used as an intermediate for the synthesis of theophylline and caffeine, and also used in the production of fiber treatment agent.

1,3-Dimethylurea is used as an intermediate in the synthesis of theophylline and caffeine.
1,3-Dimethylurea can be used as a starting material to synthesize N,N'-dimethyl-6-amino uracil.
In combination with ß-cyclodextrin derivatives, to form low melting mixtures (LMMs), which1,3-Dimethylurea can be used as solvents for hydroformylation and Tsuji-Trost reactions.

To synthesize N,N'-disubstituted-4-aryl-3,4-dihydropyrimidinones via Biginelli condensation under solvent-free conditions.
1,3-Dimethylurea is used in pharmaceutical manufacturing.

1,3-Dimethylurea is used as an intermediate to make caffeine, pharmachemicals, textile aids, herbicides, paints, and cleaning products
1,3-Dimethylurea is used as an intermediate in the synthesis of theophylline and caffeine, and also used in the production of fiber treatment agents

-Nitrogen Stabilizers uses of 1,3-Dimethylurea:
*Urease Inhibition:
1,3-Dimethylurea acts as a urease inhibitor, slowing down the breakdown of urea in the soil.

Urea is often used as a nitrogen fertilizer, and when it breaks down too quickly, ammonia gas is released into the atmosphere, reducing nitrogen availability to plants and causing air pollution.
By inhibiting urease, 1,3-Dimethylurea helps keep more nitrogen in the soil where it can be absorbed by plants.

*Improved Nitrogen Efficiency:
With less nitrogen lost to volatilization, crops have better access to the nutrients they need, improving growth and yield.

-Plant Growth Enhancement uses of 1,3-Dimethylurea:
*Regulating Growth:
In certain conditions, 1,3-dimethylurea is thought to influence plant growth by regulating hormone levels.
1,3-Dimethylurea can sometimes be used to promote specific growth stages, such as root development or vegetative growth, depending on the needs of the crop.

-In Pesticide and Herbicide Formulations uses of 1,3-Dimethylurea:
*Stabilizer in Formulations:
1,3-Dimethylurea may be used in the synthesis of certain pesticides and herbicides to improve the stability and effectiveness of the active ingredients, ensuring that the chemicals work more efficiently in controlling pests and weeds.

-Agriculture uses of 1,3-Dimethylurea:
*Controlled-Release Fertilizers:
1,3-Dimethylurea is used in formulations like isobutylidene diurea (IBDU) to provide slow-release nitrogen, enhancing fertilizer efficiency and reducing environmental impact.

*Nitrogen Stabilizers:
1,3-Dimethylurea acts as a urease inhibitor, slowing down the conversion of urea to ammonia, thereby improving nitrogen retention in soil.

*Plant Growth Enhancement:
1,3-Dimethylurea may influence plant hormone levels, promoting specific growth stages such as root development.

-Soil Conditioners uses of 1,3-Dimethylurea:
Improving Soil Fertility:
As a component of soil conditioners, 1,3-Dimethylurea helps improve the soil structure and nutrient retention, creating a more favorable environment for plant roots.

In practice, 1,3-Dimethylurea's primary role is as a stabilizer and slow-release agent in fertilizers, reducing waste and improving the efficiency of nitrogen use in agriculture.
1,3-Dimethylurea's often used in combination with other compounds to enhance overall fertilizer performance.

-Controlled-Release Fertilizers uses of 1,3-Dimethylurea:
*Slow-Release Nitrogen:
1,3-Dimethylurea is incorporated into controlled-release fertilizers, often in the form of derivatives like isobutylidene diurea (IBDU).

These fertilizers gradually release nitrogen over a longer period of time, reducing the need for frequent fertilization and minimizing nitrogen losses due to leaching or volatilization.

*Reduced Environmental Impact:
By controlling the release of nitrogen, 1,3-Dimethylurea helps prevent excessive nitrogen from running off into the environment, leading to water pollution and air contamination, thus promoting more sustainable farming practices.

APPLICATIONS AND BENEFITS OF 1,3-DIMETHYLUREA:
1,3-Dimethylurea serves as an intermediate in various industrial applications:

*Pharmaceutical Synthesis:
1,3-Dimethylurea is used in the production of caffeine and other pharmachemicals.

*Textile Industry:
1,3-Dimethylurea acts as an intermediate for formaldehyde-free easy-care finishing agents.

*Agriculture:
1,3-Dimethylurea is utilized in the synthesis of herbicides.

*Chemical Research:
1,3-Dimethylurea is employed in organic synthesis processes.
1,3-Dimethylurea's role as a building block in these industries highlights its versatility and importance in manufacturing processes.

1,3-Dimethylurea is a member of the class of ureas that is urea substituted by methyl groups at positions 1 and 3.
1,3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis.

1,3-Dimethylurea is a colorless crystalline powder with little toxicity.
1,3-Dimethylurea is used as an intermediate in the synthesis of theophylline and caffeine, and also used in the production of fiber treatment agents

SCIENTIFIC RESEARCH APPLICATIONS OF 1,3-DIMETHYLUREA:
*Chemical Synthesis
1,3-Dimethylurea is widely used as an intermediate in the synthesis of various chemical compounds:

*Caffeine Production :
1,3-Dimethylurea serves as a precursor in the synthesis of caffeine, where it contributes to the formation of key intermediates.

*Pharmaceuticals :
1,3-Dimethylurea is utilized in the development of pharmaceutical agents due to its ability to form stable complexes with active pharmaceutical ingredients.

*Textile Industry :
1,3-Dimethylurea is employed in producing formaldehyde-free finishing agents for textiles, enhancing their durability and resistance to wrinkling .

PROTEIN DENATURATION AND STRUCTURAL STUDIES OF 1,3-DIMETHYLUREA:
Similar to urea, 1,3-Dimethylurea is effective in denaturing proteins, making it valuable for studying protein structure and dynamics:

*Hydration Shell Dynamics :
Research has shown that 1,3-Dimethylurea significantly affects the dynamics of water molecules surrounding proteins.
The presence of 1,3-Dimethylurea leads to a marked retardation of water reorientation, which can influence protein folding and stability.

*NMR Studies :
Nuclear Magnetic Resonance (NMR) experiments have indicated that 1,3-Dimethylurea enhances the structure of hydration water molecules around proteins, suggesting its role in stabilizing protein conformations during studies .

PREPARATION METHODS OF 1,3-DIMETHYLUREA:
Direct Reaction of Urea with Dimethylamine

*Solvent-Free Synthesis
The patent-published method involves reacting urea with dimethylamine in a closed, anhydrous system at
125∘C–130∘C125∘C–130∘C .
The absence of solvents simplifies purification, as 1,3-dimethylurea crystallizes directly from the reaction mixture with 95% purity .

The overall reaction is:
NH2CONH2+2(CH3)2NH→(CH3)2NCONH2+2NH3
{NH}3NH2CONH2+2(CH3)2NH→(CH3)2NCONH2+2NH3

CHEMICAL BEHAVIOR OF 1,3-DIMETHYLUREA:
*Functional Group:
Urea derivative

*Reactivity:
Stable 1,3-Dimethylurea under normal conditions; may participate in typical urea reactions

*Stability:
1,3-Dimethylurea is stable; avoid strong oxidizing agents

MECHANISM OF ACTION OF 1,3-DIMETHYLUREA:
The mechanism of action of 1,3-dimethylurea involves its interaction with various molecular targets.
In biological systems, 1,3-Dimethylurea can form hydrogen bonds with proteins and enzymes, leading to changes in their structure and function.
This interaction can result in enzyme inhibition or protein denaturation, depending on the specific context.

CHEMICAL REACTIVITY AND KINETICS OF 1,3-DIMETHYLUREA:
The reactivity of this compound has been investigated extensively:

*Nitrosation Reactions :
Studies on the nitrosation kinetics of 1,3-Dimethylurea reveal that its reaction rates can be influenced by solvent composition.
The presence of dioxane modifies the reaction pathway and efficiency, highlighting its potential use in controlled chemical reactions .

*Formaldehyde Reactions :
1,3-Dimethylurea reacts with formaldehyde under specific conditions without forming polymers, unlike traditional urea-formaldehyde systems.
This property makes 1,3-Dimethylurea a model compound for studying reaction kinetics and equilibria in simpler systems

BIOLOGICAL ACTIVITY OF 1,3-DIMETHYLUREA:
1,3-Dimethylurea (DMU), a derivative of urea, is a compound that has garnered attention in various fields, including biochemistry, pharmacology, and environmental science.
1,3-Dimethylurea is characterized by the presence of two methyl groups attached to the nitrogen atoms of the urea molecule.

1,3-Dimethylurea's chemical structure can be represented as follows:
H2N−C(=O)−N(CH3)2
This configuration allows 1,3-Dimethylurea to participate in hydrogen bonding and hydrophobic interactions with various biological molecules.

CHEMICAL REACTIONS ANALYSIS OF 1,3-DIMETHYLUREA:
*Reactions with Formaldehyde
1,3-Dimethylurea reacts with formaldehyde to produce hydroxymethyl-1,3-dimethylurea (DM-MMU).
This reaction serves as a model for the more complex urea-formaldehyde system, but, unlike urea-formaldehyde, it does not form polymers .

*The reactions studied in detail include :
Hydroxymethylation
Formation of hemiformals of the hydroxymethylated intermediate
Two condensation reactions: one leading to methylene bridges and the other to ether bridges

Quantitative on-line NMR spectroscopy can be applied to study the reaction kinetics and equilibria of the reaction between formaldehyde and 1,3-Dimethylurea.
The reaction kinetic model considers the hydroxymethylation, the formation of hemiformals, and the condensation reactions .

*Reaction with Cyclohexane-1,2-dione
In an acidic medium, 1,3-Dimethylurea reacts with cyclohexane-1,2-dione to form compounds with ten-membered rings .
In a strongly acidic solution, these compounds form colored products through the protonation of hydroxy groups and the loss of water .

*Reaction with Benzil
In an acidic solution, 1,3-Dimethylurea reacts with benzil to yield 1,3-dimethyl-5,5-diphenylhydantoin .
The initial step involves the attack of 1,3-Dimethylurea on protonated benzil to produce a diol, with further reactions being influenced by the elimination of water .

*Photo-oxidation
The calculated half-life for the photo-oxidation (reaction with hydroxyl radicals) of 1,3-Dimethylurea in the air is 5.2 days.
The half-life for photo-oxidation in water is estimated to be 111 days.
Direct photolysis is not expected to be significant since 1,3-Dimethylurea does not absorb light in wavelengths > 300 nm .

*Ammonolysis Reaction
In industrial production, 1,3-Dimethylurea can be produced from urea through an ammonolysis reaction with methylamine .
The reaction follows a pseudo-first-order kinetic model .

The thermodynamics of the reaction are as follows when the reaction temperature is 140 °C
The reaction is exothermic, spontaneous, and increases entropy.

Higher temperatures are unfavorable for the synthesis of 1,3-Dimethylurea due to the thermal instability of urea and urea compounds, which can result in side reactions

NATURE OF 1,3-DIMETHYLUREA:
1,3-Dimethylurea is a gray-white flake crystal.
The melting point was 101-104 °c.

Boiling point of 1,3-Dimethylurea is 268-270 deg C.
The relative density of 1,3-Dimethylurea was 1.142.
1,3-Dimethylurea is soluble in water, ethanol, acetone, benzene and ethyl acetate, do not dissolve in ether and gasoline.

Nitrogen can be generated by reaction with sodium hypochlorite in the presence of a base.
1,3-Dimethylurea can also react with chlorine, aldehyde, ketone, inorganic acid, nitrous acid and the like.

PREPARATION METHOD OF 1,3-DIMETHYLUREA:
1,3-Dimethylurea is produced industrially by the interaction of molten urea with monomethylamine.
The urea is put into the melting tank, heated to 130-135 ℃ to melt it, then transferred to the reaction Tower preheated to 110-120 ℃, and then heated to 150175 ℃, the purified monomethylamine gas was started to be introduced, and the reaction was finished after all the monomethylamine was passed, so that the final product was obtained.

COMPARATIVE ANALYSIS OF SYNTHESIS METHODS OF 1,3-DIMETHYLUREA:
*Reaction Efficiency

*Ammonolysis :
Lower operational temperatures (140∘C) reduce energy costs but require longer reaction times (up to 120 minutes) .

*Direct Reaction :
Higher temperatures (125∘C–130∘C) accelerate kinetics but demand robust pressure management .

*Environmental Impact
Ammonolysis generates fewer volatile byproducts but risks urea decomposition pollutants .
The direct method’s solvent-free design aligns with green chemistry principles, though ammonia emissions necessitate scrubbing .

*Industrial-Scale Production Considerations
Reactor Design
Closed-system reactors with automated pressure venting are critical for both methods.
For the direct reaction, crystallizers integrated into the reactor facilitate product separation, reducing downstream processing .

*Cost Analysis
Raw Materials :
Dimethylamine costs dominate, but recycling offsets expenses .

Energy :
Ammonolysis consumes
15–20% less energy due to lower temperatures .

COMPARISON 1,3-DIMETHYLUREA WITH SIMILAR COMPOUNDS:
-Structural and Thermodynamic Comparisons:

*Thermodynamic Behavior :
1,3-Dimethylurea and 1,1-DMU enhance water’s heat capacity (ΔCp⁰) due to methyl groups enforcing structured hydration shells.
However, tetramethylurea (TMU) exhibits a stronger effect due to higher hydrophobicity .

*Hydrogen-Bond Dynamics :
1,3-Dimethylurea slows water’s rotational dynamics more than 1-ethylurea (1-EU) due to spatially separated methyl groups, which disrupt hydrogen-bond reformation .

*Interaction with Deep Eutectic Solvents (DES)
1,3-Dimethylurea-based DES (e.g., ChCl:DMU) display higher viscosity and density than ChCl:urea at low temperatures, making them suitable for high-temperature applications (>313.15 K) .
In contrast, 1,1-1,3-Dimethylurea shows weaker interactions with cholinium chloride due to blocked amine groups, leading to negative deviations from ideality in activity coefficients (Fig. 8c ).

*Phase Behavior and Co-Crystallization
In urea-1,3-Dimethylurea eutectic systems, minor co-crystallization occurs at grain boundaries, evidenced by new XRD reflections (2θ = 22.5°, 25°, 30°).
This contrasts with urea-thiourea systems, where phase separation dominates .

-Comparison with Aryl-Substituted Ureas

*1-Methyl-3,3-diphenylurea :
Bulky aryl groups increase molecular weight (254.41 g/mol) and reduce aqueous solubility, favoring use as a stabilizer in explosives or polymers.

*Centralite (1,3-Diethyl-1,3-diphenylurea) :
Ethyl and phenyl substituents enhance thermal stability, making it suitable for high-temperature lubricants .

PHYSICAL and CHEMICAL PROPERTIES of 1,3-DIMETHYLUREA:
Formula: C₃H₈N₂O
MW: 88.11 g/mol
Boiling Pt: 268 °C (1013 hPa)
Melting Pt: 96 °C
Density: 1.142 g/cm³ (20 °C)
Storage Temperature: Ambient
MDL Number: MFCD00008286
CAS Number: 96-31-1
EINECS: 202-498-7
SYNONYMS: N,N′-Dimethylurea

CAS NUMBER: 96-31-1
MOLECULAR FORMULA:C3H8N2O
MOLECULAR WEIGHT: 88.11
BEILSTEIN REGISTRY NUMBER: 1740672
EC NUMBER: 202-498-7
MDL NUMBER: MFCD00008286
Melting point :101-104 °C(lit.)
Boiling point :268-270 °C(lit.)
Density :1.142
vapor pressure :6 hPa (115 °C)

refractive index :1.4715 (estimate)
Flash point :157 °C
storage temp. :Store below +30°C.
solubility :H2O: 0.1 g/mL, clear, colorless
pka :14.57±0.46(Predicted)
form :Crystals

color :White
PH :9.0-9.5 (100g/l, H2O, 20℃)
Water Solubility :765 g/L (21.5 ºC)
BRN :1740672
InChIKey :MGJKQDOBUOMPEZ-UHFFFAOYSA-N
LogP :-0.783 at 25℃
CAS DataBase Reference :96-31-1(CAS DataBase Reference)
NIST Chemistry Reference :Urea, N,N'-dimethyl-(96-31-1)
EPA Substance Registry System :1,3-Dimethylurea (96-31-1)

Auto Ignition: 400 °C (DIN 51794) (Lit.)
Beilstein Registry Number: 1740672
Boiling Point: 262 °C (Lit.)
CAS #: 96-31-1
Density: 1.14 g/cm³ at 20 °C (Lit.)
EC Number: 202-498-7
Flash Point: > 157 °C (Lit.)
Melting Point: 100 - 110 °C
Molecular Formula: C3H8N2O
Molecular Weight: 88.11

Personal Protective Equipment: Eyeshields, Gloves, Respirator filter
pH: 9.0 - 9.5 (100 g/L, H2O, 20 °C)(Lit.)
Purity: ≥98%
RTECS Number: YS9868000
Solubility: Soluble in ethanol (200 mg in 4 mL).
Physical State: Solid
Storage: Store at room temperature
Boiling Point: ~384.0 °C at 760 mmHg (Predicted)
Density: ~1.2 g/cm³ (Predicted)
Refractive Index: n20D 1.63 (Predicted)

Chemical formula: C3H8N2O
Molar mass: 88.110 g•mol−1
Appearance: Colorless, waxy crystals
Odor: Odorless
Density: 1.142 g mL−1
Melting point: 104.4 °C; 219.8 °F; 377.5 K
Boiling point: 269.1 °C; 516.3 °F; 542.2 K
Solubility in water: 765 g L−1
Magnetic susceptibility (χ): -55.1•10−6 cm3/mol

Thermochemistry:
Std enthalpy of formation (ΔfH⦵298): −312.1–−312.1 kJ mol−1
Std enthalpy of combustion (ΔcH⦵298): −2.0145–−2.0089 MJ mol−1
Additional Properties:
Molecular Weight: 88.11 g/mol
XLogP3: -0.5
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 1
Rotatable Bond Count: 0
Exact Mass: 88.063662883 g/mol

Monoisotopic Mass: 88.063662883 g/mol
Topological Polar Surface Area: 41.1Å²
Heavy Atom Count: 6
Formal Charge: 0
Complexity: 46.8
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0

Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes
Appearance: Colorless crystals (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 108.00 °C. @ 760.00 mm Hg
Boiling Point: 269.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.547000 mmHg (est)
Flash Point: 116.00 °F. TCC (46.60 °C.) (est)
logP (o/w): -0.490

Soluble in water: 1.615e+004 mg/L @ 25 °C (est)
Chemical formula: C3H8N2O
Molar mass: 88.110 g•mol−1
Appearance: Colorless, waxy crystals
Odor: Odorless
Density: 1.142 g mL−1
Melting point: 104.4 °C; 219.8 °F; 377.5 K
Boiling point: 269.1 °C; 516.3 °F; 542.2 K
Solubility in water: 765 g L−1
Magnetic susceptibility (χ): -55.1•10−6 cm3/mol

Thermochemistry:
Std enthalpy of formation (ΔfH⦵298): −312.1–−312.1 kJ mol−1
Std enthalpy of combustion (ΔcH⦵298): −2.0145–−2.0089 MJ mol−1
Molecular Weight: 88.11 g/mol
XLogP3: -0.5
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 1
Rotatable Bond Count: 0
Exact Mass: 88.063662883 g/mol
Monoisotopic Mass: 88.063662883 g/mol

Topological Polar Surface Area: 41.1Å²
Heavy Atom Count: 6
Formal Charge: 0
Complexity: 46.8
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0

Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes
Physical state: flakes
Color: colorless
Odor: amine-like
Melting point/freezing point:
Melting point/range: 103 - 106 °C
Initial boiling point and boiling range: 268 - 270 °C - lit.
Flammability (solid, gas): No data available
Upper/lower flammability or explosive limits: No data available

Flash point: 157 °C - closed cup
Autoignition temperature: No data available
Decomposition temperature: No data available
pH: 9,0 - 9,5
Viscosity
Viscosity, kinematic: No data available
Viscosity, dynamic: No data available
Water solubility: 765 g/l at 21,5 °C - soluble
Partition coefficient:
n-octanol/water: log Pow: -0,783

Vapor pressure: No data available
Density: 1,14 g/cm3 at 20 °C
Relative density: No data available
Relative vapor density: No data available
Particle characteristics: No data available
Explosive properties: No data available
Oxidizing properties: No data available
Other safety information:
Bulk density 0,50 g/l
Molecular Formula: CH3NHCONHCH3

CAS No: 96-31-1
EINECS: 202-498-7
Molecular Weight: 88.11
Appearance: White Crystals
Assay: ≥ 95%
Freezing point: 103'C Min
Volatile Content: ≤ 0.2%
Melting point: 104'C
CAS number: 96-31-1
EC number: 202-498-7
Hill Formula: C₃H₈N₂O

Chemical formula: CH₃NHCONHCH₃
Molar Mass: 88.11 g/mol
HS Code: 2924 19 00
Boiling point: 268 - 270 °C (1013 hPa)
Density: 1.14 g/cm3 (20 °C)
Flash point: 157 °C DIN 51758
Ignition temperature: 400 °C
Melting Point: 101 - 104 °C
pH value: 9.0 - 9.5 (H₂O)
Vapor pressure: <0.1 hPa (20 °C)
Bulk density: 500 kg/m3

Solubility: 765 g/l
Chemical Name: N,N’-dimethylurea
CAS No.: 96-31-1
Molecular Formula: C3H8N2O
Molecular Weight: 88.10840
PSA: 41.13000
LogP: 0.32700
Appearance & Physical State: white flake
Density: 1.142
Boiling Point: 268-270ºC
Melting Point: 101-105ºC
Flash Point: 157ºC

Refractive Index: 1.413
Water Solubility: 765 g/L (21.5 ºC)
Stability: Stable under normal temperatures and pressures.
Storage Condition: Store at RT.
Melting point: 101-104 °C(lit.)
Boiling point: 268-270 °C(lit.)
Density: 1.142
vapor pressure: 6 hPa (115 °C)
refractive index: 1.4715 (estimate)

Flash point: 157 °C
storage temp.: Store below +30°C.
solubility: H2O: 0.1 g/mL, clear, colorless
pka: 14.57±0.46(Predicted)
form: Crystals
color: White
PH: 9.0-9.5 (100g/l, H2O, 20℃)
Water Solubility: 765 g/L (21.5 ºC)
BRN: 1740672
InChIKey: MGJKQDOBUOMPEZ-UHFFFAOYSA-N
LogP: -0.783 at 25℃

CAS DataBase Reference: 96-31-1(CAS DataBase Reference)
FDA UNII: WAM6DR9I4X
NIST Chemistry Reference: Urea, N,N'-dimethyl-(96-31-1)
EPA Substance Registry System: 1,3-Dimethylurea (96-31-1)
CAS No.: 96-31-1
Molecular Formula: C3H8N2O
InChIKeys: InChIKey=MGJKQDOBUOMPEZ-UHFFFAOYSA-N
Molecular Weight: 88.11
Exact Mass: 88.11

EC Number: 202-498-7
UNII: WAM6DR9I4X
ICSC Number: 1745
NSC Number: 24823|14910
DSSTox ID: DTXSID5025156
Color/Form: RHOMBIC BIPYRAMIDAL CRYSTALS FROM CHLOROFORM-ETHER|COLORLESS PRISMS
HScode: 2924199090
PSA: 41.1
XLogP3: -0.5
Appearance: N,n'-dimethylurea appears as colorless crystals. (NTP, 1992)
Density: 1.142 g/cm3

Melting Point: 108 °C
Boiling Point: 268-270 °C
Flash Point: 154°C
Refractive Index: 1.414
Water Solubility: H2O: 765 g/L (21.5 ºC)
Vapor Pressure: Vapour pressure, Pa at 20°C: 0.042
Air and Water Reactions: Water soluble.
Reactive Group: Amides and Imides
Autoignition Temperature: 400 °C

Molecular Formula / Molecular Weight: C3H8N2O = 88.11
Physical State (20 deg.C): Solid
CAS RN: 96-31-1
Reaxys Registry Number: 1740672
PubChem Substance ID: 87566985
SDBS (AIST Spectral DB): 2161
MDL Number: MFCD00008286
Appearance: colorless crystals (est)
Assay: 95.00 to 100.00

Food Chemicals Codex Listed: No
Melting Point: 108.00 °C. @ 760.00 mm Hg
Boiling Point: 269.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.547000 mmHg (est)
Flash Point: 116.00 °F. TCC ( 46.60 °C. ) (est)
logP (o/w): -0.490
Soluble in: water, 1.615e+004 mg/L @ 25 °C (est)
Synonyms: N,N'-Dimethylurea
Molecular Formula: C3H8N2O

Molecular Weight: 88.11
CAS Number: 96-31-1
EINECS: 202-498-7
Appearance: White powder
Density: 1.142
Melting Point: 101-105 ºC
Stability: Stable under ordinary conditions.
Appearance: White powder
PH value: 6.5-8.0
Assay: ≥97.5%

Water: ≤0.5
Density: 0.9±0.1 g/cm3
Boiling Point: 269.0±0.0 °C at 760 mmHg
Melting Point: 101-104 °C(lit.)
Molecular Formula: C3H8N2O
Molecular Weight: 88.108
Flash Point: 124.3±18.9 °C
Exact Mass: 88.063660
PSA: 41.13000

LogP: -1.01
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Index of Refraction: 1.414
Storage condition: Store at RT.
Water Solubility: 765 g/L (21.5 ºC)
Synonyms: 1,3-dimethylurea
Molecular Weight: 88.11
Molecular Formula: C3H8N2O
Canonical SMILES: CNC(=O)NC

InChI: InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
InChIKey: MGJKQDOBUOMPEZ-UHFFFAOYSA-N
Boiling Point: 268-270 ℃
Melting Point: 101-105 ℃
Flash Point: 157ºC
Purity: > 98.0 % (GC)
Density: 1.142 g/cm3
Appearance: Colorless crystals.
Storage: Store at RT.
HS Code: 29241900

Log P: 0.32700
MDL: MFCD00008286
PSA: 41.13
Refractive Index: 1.413
Risk Statements: R62
RTECS: YS9868000
Safety Statements: S24/25
Stability: Stable under normal temperatures and pressures.
SYNONYMS: N,N′-Dimethylurea
CAS NUMBER: 96-31-1

MOLECULAR WEIGHT: 88.11
BEILSTEIN REGISTRY NUMBER: 1740672
EC NUMBER: 202-498-7
MDL NUMBER: MFCD00008286
Auto Ignition: 400 °C (DIN 51794) (Lit.)
Base Catalog Number: 15784780
Beilstein Registry Number: 1740672
Boiling Point: 262 °C (Lit.)
CAS #: 96-31-1

Density: 1.14 g/cm3 at 20 °C (Lit.)
EC Number: 202-498-7
Flash Point: > 157 °C (Lit.)
Melting Point: 100 - 110 °C
Molecular Formula: C3H8N2O
Molecular Weight: 88.11
pH: 9.0 - 9.5 (100 g/L, H2O, 20 °C) (Lit.)
Purity: ≥98%
RTECS Number: YS9868000
Solubility: Soluble in ethanol (200 mg in 4 mL).

Melting Point: 105°C
Boiling Point: 270°C
Color: White
Formula Weight: 88.11
Physical Form: Crystal-Powder at 20°C
Chemical Name or Material: 1,3-Dimethylurea
CAS: 96-31-1
EINECS: 202-498-7

InChI: InChI=1/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
InChIKey: MGJKQDOBUOMPEZ-UHFFFAOYSA-N
Molecular Formula: C3H8N2O
Molar Mass: 88.11
Density: 1.142
Melting Point: 101-104°C (lit.)
Boiling Point: 268-270°C (lit.)
Flash Point: 157 °C
Water Solubility: 765 g/L (21.5 ºC)

Solubility: Soluble in water, ethanol, acetone,
benzene, and ethyl acetate, etc.,
insoluble in ether and gasoline.
Vapor Pressure: 6 hPa (115 °C)
Appearance: Crystallization
Color: White
BRN: 1740672
pKa: 14.57±0.46 (Predicted)
pH: 9.0-9.5 (100g/l, H2O, 20℃)
Refractive Index: 1.4715 (estimate)
MDL: MFCD00008286

FIRST AID MEASURES of 1,3-DIMETHYLUREA:
-Description of first-aid measures:
*General advice:
Consult a physician.
Show this material safety data sheet to the doctor in attendance.
*If inhaled:
If breathed in, move person into fresh air.
Consult a physician.
*In case of skin contact:
Wash off with soap and plenty of water.
Consult a physician.
*In case of eye contact:
Flush eyes with water as a precaution.
*If swallowed:
Never give anything by mouth to an unconscious person.
Rinse mouth with water.
Consult a physician.
-Indication of any immediate medical attention and special treatment needed:
No data available

ACCIDENTAL RELEASE MEASURES of 1,3-DIMETHYLUREA:
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Pick up and arrange disposal without creating dust.
Sweep up and shovel.
Keep in suitable, closed containers for disposal.

FIRE FIGHTING MEASURES of 1,3-DIMETHYLUREA:
-Extinguishing media:
*Suitable extinguishing media:
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
-Further information:
No data available

EXPOSURE CONTROLS/PERSONAL PROTECTION of 1,3-DIMETHYLUREA:
-Control parameters:
--Ingredients with workplace control parameters:
-Exposure controls:
--Personal protective equipment:
*Eye/face protection:
Use equipment for eye protection.
*Skin protection:
Handle with gloves.
Wash and dry hands.
Full contact:
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
Splash contact:
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
*Body Protection:
Choose body protection
*Respiratory protection:
Respiratory protection is not required.
-Control of environmental exposure:
Do not let product enter drains.

HANDLING and STORAGE of 1,3-DIMETHYLUREA:
-Precautions for safe handling:
*Hygiene measures:
Handle in accordance with good industrial hygiene and safety practice.
Wash hands before breaks and at the end of workday.
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Store in cool place.
Keep container tightly closed in a dry and well-ventilated place.
*Storage class:
Storage class (TRGS 510): 13:
Non Combustible Solids

STABILITY and REACTIVITY of 1,3-DIMETHYLUREA:
-Reactivity:
No data available
-Chemical stability:
Stable under recommended storage conditions.
-Possibility of hazardous reactions:
No data available
-Conditions to avoid:
No data available