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TRIMETHYLORTHO ACETATE

 

 

Trimethylortho Acetate is used paint additives and coating additives not described by other categories
Trimethylortho Acetate is used as intermediates in pharmaceutical or agrochemical industry.
Trimethylortho Acetate is used as main raw material of food additive, coating and paint also.


CAS Number: 1445-45-0
EC Number: 215-892-9
IUPAC: 1,1,1-trimethoxyethane
Molecular formula: C₅H₁₂O₃ (often shown as CH₃C(OCH₃)₃)
Molecular weight (molar mass): ≈ 120.15 g·mol⁻¹

SYNONYMS:
Trimethyl orthoacetate, 1,1,1-TRIMETHOXYETHANE, Ethane, 1,1,1-trimethoxy-, CH3C(OCH3)3, EINECS 215-892-9, UNII-04H7A3FK37, DTXSID8027400, AI3-24332, 04H7A3FK37, DTXCID507400, RefChem:191754, ETHANE,1,1,1-TRIMETHOXY ORTHOACETIC ACID,TRIMETHYL ESTER, HDPNBNXLBDFELL-UHFFFAOYSA-N, InChI=1/C5H12O3/c1-5(6-2,7-3)8-4/h1-4H, 1445-45-0, Orthoacetic acid, trimethyl ester, Methyl orthoacetate, Orthoacetic Acid Trimethyl Ester, MFCD00008477, 1,1,1-trimethoxy-ethane, Trimethoxyethane, Orthoacetic Acid Trimethyl Ester; 1,1,1-Trimethoxyethane; Methyl Orthoacetate, trimethyl ortho acetate, MeC(OMe)3, SCHEMBL90785, Trimethyl orthoacetate, 99%, SCHEMBL8986723, CHEMBL3188558, Tox21_200955, BBL011203, STK933759, AKOS005662924, FT45514, NCGC00248885-01, NCGC00258508-01, VS-02881, CAS-1445-45-0, NS00020265, O0115, EN300-91820, Trimethyl orthoaceate 1,1,1-Trimethoxyethane, D88002, A808231, F227758, Q17989937, F8889-3297, ETHANE,1,1,1-TRIMETHOXY ORTHOACETIC ACID,TRIMETHYL ESTER, 1,1,1-Trimethoxyethane, TMOA, 1,1,1-TRIMETHOXYETHANE, CH3C(OCH3)3, orthoacetate, Methyl orthoacetate, Trimethylorthoaceate, Trimethylorthoacetat, Ethane, 1,1,1-trimethoxy-, trimethyl-acetate, Trimethyl o-acetate, 1,1,1-Trimethoxyethane, Orthoacetic acid trimethyl ester, Ethane,1,1,1-trimethoxy-, Orthoacetic acid,trimethyl ester, 1,1,1-Trimethoxyethane, Trimethyl orthoacetate, Methyl orthoacetate

Trimethylortho Acetate is an intermediate for the production of medicines and pesticides, as well as the main raw material for the production of food additives, coatings, paints, etc.
The preparation method is as follows: anhydrous acetonitrile, methanol and carbon tetrachloride are introduced into the metered dry HCl gas at -10°C.


Then, the reaction was stirred at 0-5° C. for 12 h to obtain a reaction mixture of crude imino ether hydrochloride, which was then purified with 28% sodium methoxide methanol solution to obtain Trimethylortho Acetate with a yield of 90%.
Trimethylortho Acetate is a clear liquid that readily dissolves in water, ethanol, and acetone.


Trimethylortho Acetate is an orthoester (an orthoacetate) — specifically the methyl orthoester of acetic acid where three methoxy groups are attached to the same carbon: CH₃C(–OCH₃)₃.
Trimethylortho Acetate is a small, volatile organic molecule used primarily as a reagent/intermediate in organic synthesis (e.g., formation of acetals, protection chemistry, Johnson–Claisen rearrangement variants) and as a solvent/alkylating/derivatizing agent in some laboratory procedures.

USES and APPLICATIONS of TRIMETHYLORTHO ACETATE:
Trimethylortho Acetate serves multiple purposes, such as a solvent in the synthesis of organic compounds, preserving biological samples, and cryoprotectant biological tissues.
Moreover, Trimethylortho Acetate′s used as an electrolyte in battery research.


Reacting with alkanoic acids, Trimethylortho Acetate forms esters, which are important intermediates in the development of agrochemicals.
The reaction mechanism of Trimethylortho Acetate has been studied by means of matrix effect and kinetic energy analysis, showing that it is an exothermic reaction.


Trimethylortho Acetate is an intermediate used in the production of medicines and pesticides, as well as the main raw material for the production of food additives, coatings, paints, etc.
Trimethylortho Acetate is used as an organic synthesis reagent.


Trimethylortho Acetate is used paint additives and coating additives not described by other categories
Trimethylortho Acetate is used as intermediates in pharmaceutical or agrochemical industry.
Trimethylortho Acetate is used as main raw material of food additive, coating and paint also.


This is used for processing of chemical reactions in varied pharmaceutical industries.
In order to make it flawless this is formulated using high-grade ingredients and sophisticated technology.
In addition, it is also tested on different parameters, owing to all, this Trimethylortho Acetate is appreciated for its longer shelf life, seamless quality, effectiveness, high purity, exact composition, and many more features.


Trimethylortho Acetate has been used in the preparation of 2-amino-9-(3-acyloxymethyl-4-alkoxycarbonyloxybut-1-yl)purines and 2-amino-9-(3-alkoxycarbonyl-oxymethyl-4-alkoxycarbonyloxybut -1-yl)purines.
Kinetics and mechanism of gas-phase elimination of Trimethylortho Acetate has been examined over the temperature range of 310-369°C and pressure range of 50-130Torr.


Organic synthesis reagent / intermediate: Trimethylortho Acetate is used to introduce the “methoxy-acetal” functional group, protect diols (formation of methoxyethylidene acetals), and in certain Claisen/Johnson–Claisen rearrangements.
Trimethylortho Acetate iss frequently used in medicinal-chemistry and fine-chemicals synthesis.


Laboratory solvent / derivatizing agent: Trimethylortho Acetate is employed for specific methylations/derivatizations and as a reagent for preparing methylated derivatives.
Niche industrial use: Trimethylortho Acetate is sometimes used as a specialty solvent or intermediate in fragrances/pharma chemistry — mainly as an intermediate rather than a bulk commodity solvent.


Trimethylortho Acetate is used as a diols can be protected as their 1-methoxyethylidene cyclic acetals (2-methoxy-2-methyl-1,3-dioxolanes) by acid-catalyzed exchange.
Trimethylortho Acetate is mainly used as the chemical intermediates of the medicine.


Some of the other applications include Trimethylortho Acetate is mainly used as chemical intermediate of pharmaceutical and agricultural chemicals, used for compound medical intermediates of vitamin B1, vitamin A1 and sulfanilamide organism, used for dye and spices industry, Medicine, agricultural chemicals, paint additives.

SOLUBILITY of TRIMETHYLORTHO ACETATE:
Trimethylortho Acetate hydrolyzes in water.

NOTES of TRIMETHYLORTHO ACETATE:
Trimethylortho Acetate is moisture Sensitive.
Keep Trimethylortho Acetate container tightly closed in a dry and well-ventilated place.
Keep Trimethylortho Acetate away from oxidizing agents.
Trimethylortho Acetate is stable under recommended storage conditions.

BENEFITS / DESIRABLE CHARACTERISTICS of TRIMETHYLORTHO ACETATE:
*Useful orthoester reactivity: 
Trimethylortho Acetate can act as a source of methoxy groups under Lewis/Brønsted acid catalysis — handy for certain protection/deprotection strategies.

*Relatively simple small molecule: 
Well-characterized, commercially available in laboratory grades (>95–99%).

METHODS OF MANUFACTURING of TRIMETHYLORTHO ACETATE:
The preparation method is to add anhydrous acetonitrile, methanol and solvent carbon tetrachloride to the reaction pot, cool to -10°C, pass in a metered amount of dry HCl gas under stirring, and slowly raise the temperature to 0 after passing the HCl.

~5℃, continue to stir at this temperature for 12h to obtain a reaction mixture of crude imino ether hydrochloride.
The reaction mixture is neutralized with 28% sodium methoxide methanol solution to pH=6.5, and then pre-cooled methanol is added.

Alcoholysis, the temperature is controlled at 5℃, then the temperature is raised to 35~40℃, the reaction is continued to stir for 10h, then cooled to 0~5℃, ammonium chloride is removed by suction filtration, the filtrate is neutralized with 28% sodium methoxide methanol solution to adjust the pH =8, then filter and then distill, first remove the solvent carbon tetrachloride, and then collect the distillate at 107~110℃ to be Trimethylortho Acetate, the yield can reach 90%.

KEY FEATURES of TRIMETHYLORTHO ACETATE:
*Highly admired
*Perfect packaging
*Accurate composition
*Effectiveness

MANUFACTURING INFO of TRIMETHYLORTHO ACETATE:
Paint and coating manufacturing|Ethane, 1,1,1-trimethoxy-: ACTIVE

PHYSICAL and CHEMICAL PROPERTIES of TRIMETHYLORTHO ACETATE:
Linear Formula: CH3C(OCH3)3
CAS Number: 1445-45-0
Molecular Weight: 120.15
Beilstein: 1098338
EC Number: 215-892-9
MDL Number: MFCD00008477
UNSPSC Code: 12352100
PubChem Substance ID: 24854275
NACRES: NA.22

Physical State: Liquid
Color: Colorless
Odor: Pungent / ether-like (subjective)
Melting Point / Freezing Point: < 0 °C - OECD Test Guideline 102
Initial Boiling Point / Boiling Range: 107–109 °C - lit.
Flammability (solid, gas): No data available
Upper / Lower Flammability or Explosive Limits: No data available
Flash Point: 13 °C - closed cup
Autoignition Temperature: 240 °C at 1.013 hPa - DIN 51794

Decomposition Temperature: No data available
pH: No data available
Viscosity, Kinematic: No data available
Viscosity, Dynamic: No data available
Water Solubility: Hydrolyses in water; sparingly stable
Partition Coefficient (log P / log Kow): 1.13 at 25 °C - Bioaccumulation is not expected
Vapor Pressure: ~20 hPa at 20 °C (depends on temperature)
Density / Specific Gravity: 0.944–0.956 g/mL at 20–25 °C
Relative Density: 0.958 at 20 °C - OECD Test Guideline 109

Relative Vapor Density: >1 (vs air)
Particle Characteristics: No data available
Explosive Properties: No data available
Oxidizing Properties: None
Other Safety Information: Moisture sensitive; store dry, cool, 
tightly closed; reacts under acid/base catalysis
IUPAC Name: 1,1,1-trimethoxyethane
Molecular Formula: C5H12O3
InChI Key: HDPNBNXLBDFELL-UHFFFAOYSA-N
SMILES: COC(C)(OC)OC

Synonym: 1,1,1-trimethoxyethane
Refractive Index: 1.3870–1.3910 @ 20 °C
Assay (GC): ≥97.5%
Form: Liquid
Appearance: Clear colorless to pale yellow
Molecular Formula: C5H12O3
Molecular Weight: 120.15 g/mol
Exact Mass: 120.078644241 Da
Monoisotopic Mass: 120.078644241 Da

XLogP3-AA: 0.2
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Rotatable Bond Count: 3
Topological Polar Surface Area: 27.7 Ų
Heavy Atom Count: 8
Formal Charge: 0
Complexity: 50.4
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes

Physical State (20 °C): Liquid
Appearance: Clear colorless to slightly brown Liquid
Color: Clear colorless to slightly brown
Odor: Pungent / ether-like
Melting Point: -58 °C
Boiling Point: 107–109 °C (lit.)
Density / Specific Gravity: 0.944–0.960 g/mL at 25 °C
Refractive Index: n20/D 1.388–1.39
Vapor Pressure: 20 hPa at 20 °C
Flash Point: 62 °F
Water Solubility: Hydrolysis

Solubility: Chloroform (Sparingly), Methanol (Slightly)
Storage Temperature: Room Temperature (Recommended in a cool and dark place, <30 °C)
Store Under Inert Gas: Store under inert gas
Condition to Avoid: Moisture Sensitive
CAS Number: 1445-45-0
EC Number: 215-892-9
BRN / Reaxys Registry Number: 1098338
PubChem Substance ID: 87574121

SDBS (AIST Spectral DB): 3040
MDL Number: MFCD00008477
UNII: 04H7A3FK37
DSSTox ID: DTXSID8027400
HScode: 29159080
UNSPSC Code: 12352112
NACRES: NA.22
Purity (GC): min. 98.0 %
Signal Word: Danger
NMR: Confirmed to structure

FIRST AID MEASURES of TRIMETHYLORTHO ACETATE:
-Description of first-aid measures
*General advice:
Show this material safety data sheet to the doctor in attendance.
*If inhaled:
After inhalation: 
Fresh air.
*In case of skin contact: 
Take off immediately all contaminated clothing. 
Rinse skin with
water/ shower.
*In case of eye contact:
After eye contact: 
Rinse out with plenty of water. 
Call in ophthalmologist. 
Remove contact lenses.
*If swallowed:
After swallowing: 
Immediately make victim drink water (two glasses at most). 
Consult a physician.
-Indication of any immediate medical attention and special treatment needed.
No data available

ACCIDENTAL RELEASE MEASURES of TRIMETHYLORTHO ACETATE:
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Cover drains. 
Collect, bind, and pump off spills. 
Observe possible material restrictions. 
Take up dry. 
Dispose of properly. 
Clean up affected area.

FIRE FIGHTING MEASURES of TRIMETHYLORTHO ACETATE:
-Extinguishing media:
*Suitable extinguishing media:
Carbon dioxide (CO2) 
Foam 
Dry powder
*Unsuitable extinguishing media:
For this substance/mixture no limitations of extinguishing agents are given.
-Further information:
Prevent fire extinguishing water from contaminating surface water or the ground water system.

EXPOSURE CONTROLS/PERSONAL PROTECTION of TRIMETHYLORTHO ACETATE:
-Control parameters:
--Ingredients with workplace control parameters:
-Exposure controls:
--Personal protective equipment:
*Eye/face protection:
Use equipment for eye protection. 
Safety glasses
*Body Protection:
protective clothing
*Respiratory protection:
Recommended Filter type: Filter A 
-Control of environmental exposure:
Do not let product enter drains.

HANDLING and STORAGE of TRIMETHYLORTHO ACETATE:
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Tightly closed. 
Dry.

STABILITY and REACTIVITY of TRIMETHYLORTHO ACETATE:
-Chemical stability:
The product is chemically stable under standard ambient conditions (room temperature).
-Possibility of hazardous reactions:
No data available


 

 
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