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DESCRIPTION:
(Ethylenedioxy)dimethanol, with the chemical formula C4H10O4 and CAS registry number 3586-55-8, is a compound used in various industrial applications.
This colorless liquid, also known as 1,4-Dimethylenedioxybutane, is characterized by its two methylene dioxy functional groups attached to a butane chain.
(Ethylenedioxy)dimethanol serves as a versatile building block in organic synthesis, particularly in the production of polymers, resins, and plasticizers.
CAS: 3586-55-8
European Community (EC) Number: 222-720-6
IUPAC Name: 2-(hydroxymethoxy)ethoxymethanol
Molecular Formula: C4H10O4
SYNONYMS OF (ETHYLENEDIOXY)DIMETHANOL
(Ethylenedioxy)dimethanol,3586-55-8,Dimethylol glycol,Ethylene glycol bis(semiformal),2-(hydroxymethoxy)ethoxymethanol,1,2-Bis(hydroxymethoxy)ethane,1,2-Bis[hydroxymethoxy]ethane,Y772Z5O19G,dimethanol,UNII-Y772Z5O19G,1,6-dihydroxy-2,5-dioxahexane,EINECS 222-720-6,(1,2-Ethanediylbis(oxy))bismethanol,Methanol, (1,2-ethanediylbis(oxy))bis-,GROTAN TK5,SCHEMBL561721,DTXSID5041225,[2-(hydroxymethoxy)ethoxy]methanol,(Ethane-1,2-diylbis(oxy))dimethanol,(1,2-ETHANEDIYLBIS(OXY)BISMETHANOL,NS00007382,W-109911,Q27294333,METHANOL, 1,1'-(1,2-ETHANEDIYLBIS(OXY))BIS-,(ethylenedioxy)dimethanol [1,2-ethanediylbis(oxy)]bis-Methanol [2-(Hydroxymethoxy)ethoxy]methanol 1,1′-[1,2-Ethanediylbis(oxy)]bis[methanol] 1,2-ETHANDIYLBIS(OXY)BISMETHANOL 1,6-Dihydroxy-2,5-dioxahexane 1,6-Dihydroxy-2,5-dioxyhexane 2-(hydroxymethoxy)ethoxymethanol 2-methyloloxyethoxymethanol Bodoxin AE Dascocide 9 Ethylene glycol bis(hydroxymethyl ether) Ethylene glycol bis(semiformal) ethylene glycol dimethanol ether Methanol, (ethylenedioxy)di- Methanol, [1,2-ethanediylbis(oxy)]bis- Methanol, 1,1′-[1,2-ethanediylbis(oxy)]bis- Methanol, 1,2-ethanediylbis(oxy)bis- Nipacide FC
(Ethylenedioxy)dimethanol is valued for its ability to impart flexibility and durability to polymers, making it a key ingredient in the manufacturing of coatings, adhesives, and composite materials.
Its chemical structure enables crosslinking reactions, contributing to the enhancement of material properties such as strength and heat resistance.
This compound plays a crucial role in the development of various industrial products, ranging from automotive parts to electronics, and is essential in the production of high-performance materials for diverse applications.
(Ethylenedioxy)dimethanol, also known as EDDM, is an organic compound that is used in a variety of scientific applications.
(Ethylenedioxy)dimethanol is a versatile molecule that is often used in laboratory experiments due to its unique properties.
APPLICATIONS OF (ETHYLENEDIOXY)DIMETHANOL:
Biomedical Research :
Ethylene dimethanesulphonate, a related compound, has been studied for its effects on Leydig cell function in male rats, influencing hormone levels like serum LH and FSH (Jackson & Morris, 2009).
Corrosion Inhibition :
N,N'-Bis(1-phenylethanol)ethylenediamine, a derivative, is effective in inhibiting steel corrosion in acidic media, highlighting the importance of such compounds in industrial applications (Sığırcık et al., 2017).
Fuel Additives :
Adding dimethoxymethane, a related compound, to diesel fuel can significantly reduce soot emissions, showing potential for environmental applications in the automotive industry (Song & Litzinger, 2006).
Molecular Studies :
Ethylene glycol and 1,2-dimethoxyethane, which is structurally similar to (ethylenedioxy)dimethanol, have been analyzed for their conformational behaviors, demonstrating the importance of such studies in understanding molecular interactions (Murcko & Dipaola, 1992).
Electrical and Optical Applications :
Novel tetrathiafulvalene analogues with ethylenedioxy groups have been used as single-component conductors, exhibiting noteworthy electrical conductivity and optical properties (Balodis et al., 2003).
Photodimerization Studies :
The photodimerization behavior of certain ethylenedioxycoumarins under sunlight exposure has been studied, providing insights into the chemical reactions influenced by light (Kılıç, 2014).
Drug Analysis :
this compound derivatives have been utilized in analytical techniques for detecting amphetamine derivatives in urine samples, showcasing its application in forensic and pharmaceutical analysis (Nieddu et al., 2007).
Polymer Science :
Research into degradable polymers for medical applications, involving compounds similar to this compound, has contributed to understanding their thermal and mechanical properties, crucial for biomedical engineering (Engelberg & Kohn, 1991).
CHEMICAL AND PHYSICAL PROPERTIES OF (ETHYLENEDIOXY)DIMETHANOL:
Molecular Weight
122.12 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
XLogP3-AA
-1.2
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Hydrogen Bond Donor Count
2
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Hydrogen Bond Acceptor Count
4
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Rotatable Bond Count
5
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Exact Mass
122.05790880 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Monoisotopic Mass
122.05790880 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Topological Polar Surface Area
58.9Ų
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Heavy Atom Count
8
Computed by PubChem
Formal Charge
0
Computed by PubChem
Complexity
33
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Isotope Atom Count
0
Computed by PubChem
Defined Atom Stereocenter Count
0
Computed by PubChem
Undefined Atom Stereocenter Count
0
Computed by PubChem
Defined Bond Stereocenter Count
0
Computed by PubChem
Undefined Bond Stereocenter Count
0
Computed by PubChem
Covalently-Bonded Unit Count
1
Computed by PubChem
Compound Is Canonicalized
Yes
CAS-no.:
3586-55-8
EC no.:
222-720-6
Specification:
Appearance:, colourless to yellowish liquid
Formaldehyde content (%):, 42 - 48
pH value at 20°C (1% in dest. water):, 7.0 - 8.0
Specific gravity at 25°C (g/ml):, 1.180 - 1.200
Refractive index at 20°C:, 1.430 - 1.443
Applications:
Liquid in-can preservative
For the preservation of pigment slurries, filler suspensions, polymer dispersions, solutions and dispersions of glues and thickeners, concrete additives, detergents, oil emulsions, polishes and other chemical-technical water-based preparations. The product can be used to combat bacteria, mould and yeast. Miscible with water in any ratio.
Boiling point 90℃
Density 1.193
Flash point 8℃
pka 12.76±0.10(Predicted)
Viscosity 34.5mm2/s
LogP -0.976 (est)
FDA UNII Y772Z5O19G
EPA Substance Registry System 1,2-Bis[hydroxymethoxy]ethane (3586-55-8)
1.3 CAS No.
3586-55-8
1.4 CID
62511
1.5 EINECS(EC#)
222-720-6
1.6 Molecular Formula
C4H10O4 (isomer)
1.7 Inchi
InChI=1S/C4H10O4/c5-3-7-1-2-8-4-6/h5-6H,1-4H2
1.8 InChIkey
BXGYYDRIMBPOMN-UHFFFAOYSA-N
1.9 Canonical Smiles
C(COCO)OCO
1.10 Isomers Smiles
C(COCO)OCO
Density
1.193
2.1 Boiling point
89.6°Cat760mmHg
2.1 Refractive index
1.443
2.1 Flash Point
8°C
2.1 PSA
58.92000
2.1 logP
-1.08080
2.1 Appearance
colourless - light yellow liquid with aldehyde-like odor
2.2 pKa
12.76±0.10(Predicted)
2.3 Water Solubility
in all proportions
Water Solubility 669 g/L ALOGPS
logP -1.4 ALOGPS
logP -1.1 ChemAxon
logS 0.74 ALOGPS
pKa (Strongest Acidic) 12.76 ChemAxon
pKa (Strongest Basic) -3.6 ChemAxon
Physiological Charge 0 ChemAxon
Hydrogen Acceptor Count 4 ChemAxon
Hydrogen Donor Count 2 ChemAxon
Polar Surface Area 58.92 Ų ChemAxon
Rotatable Bond Count 5 ChemAxon
Refractivity 26.26 m³•mol⁻¹ ChemAxon
Polarizability 12.31 ų ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five Yes ChemAxon
Ghose Filter No ChemAxon
Veber's Rule No ChemAxon
MDDR-like Rule No
SAFETY INFORMATION ABOUT (ETHYLENEDIOXY)DIMETHANOL:
First aid measures:
Description of first aid measures:
General advice:
Consult a physician.
Show this safety data sheet to the doctor in attendance.
Move out of dangerous area:
If inhaled:
If breathed in, move person into fresh air.
If not breathing, give artificial respiration.
Consult a physician.
In case of skin contact:
Take off contaminated clothing and shoes immediately.
Wash off with soap and plenty of water.
Consult a physician.
In case of eye contact:
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
Continue rinsing eyes during transport to hospital.
If swallowed:
Do NOT induce vomiting.
Never give anything by mouth to an unconscious person.
Rinse mouth with water.
Consult a physician.
Firefighting measures:
Extinguishing media:
Suitable extinguishing media:
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Nitrogen oxides (NOx), Hydrogen chloride gas
Advice for firefighters:
Wear self-contained breathing apparatus for firefighting if necessary.
Accidental release measures:
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment.
Avoid breathing vapours, mist or gas.
Evacuate personnel to safe areas.
Environmental precautions:
Prevent further leakage or spillage if safe to do so.
Do not let product enter drains.
Discharge into the environment must be avoided.
Methods and materials for containment and cleaning up:
Soak up with inert absorbent material and dispose of as hazardous waste.
Keep in suitable, closed containers for disposal.
Handling and storage:
Precautions for safe handling:
Avoid inhalation of vapour or mist.
Conditions for safe storage, including any incompatibilities:
Keep container tightly closed in a dry and well-ventilated place.
Containers which are opened must be carefully resealed and kept upright to prevent leakage.
Storage class (TRGS 510): 8A: Combustible, corrosive hazardous materials
Exposure controls/personal protection:
Control parameters:
Components with workplace control parameters
Contains no substances with occupational exposure limit values.
Exposure controls:
Appropriate engineering controls:
Handle in accordance with good industrial hygiene and safety practice.
Wash hands before breaks and at the end of workday.
Personal protective equipment:
Eye/face protection:
Tightly fitting safety goggles.
Faceshield (8-inch minimum).
Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection:
Handle with gloves.
Gloves must be inspected prior to use.
Use proper glove
removal technique (without touching glove's outer surface) to avoid skin contact with this product.
Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
Full contact:
Material: Nitrile rubber
Minimum layer thickness: 0.11 mm
Break through time: 480 min
Material tested:Dermatril (KCL 740 / Aldrich Z677272, Size M)
Splash contact
Material: Nitrile rubber
Minimum layer thickness: 0.11 mm
Break through time: 480 min
Material tested:Dermatril (KCL 740 / Aldrich Z677272, Size M)
It should not be construed as offering an approval for any specific use scenario.
Body Protection:
Complete suit protecting against chemicals, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection:
Where risk assessment shows air-purifying respirators are appropriate use a fullface respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls.
If the respirator is the sole means of protection, use a full-face supplied air respirator.
Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so.
Do not let product enter drains.
Discharge into the environment must be avoided.
Stability and reactivity:
Chemical stability:
Stable under recommended storage conditions.
Incompatible materials:
Strong oxidizing agents:
Hazardous decomposition products:
Hazardous decomposition products formed under fire conditions.
Carbon oxides, Nitrogen oxides (NOx), Hydrogen chloride gas.
Disposal considerations:
Waste treatment methods:
Product:
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contact a licensed professional waste disposal service to dispose of this material.
Contaminated packaging:
Dispose of as unused product.
