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2-Methoxyethanol

CAS: 109-86-4 | C3H8O2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 109-86-4
Molecular Formula: C3H8O2
Molecular Weight: 76.095 g/mol

Names and Synonyms:

2-Methoxyethanol
Ethanol, 2-methoxy-
2-Methoxyethanol
Dowanol EM
Ethylene glycol methyl ether
Ethylene glycol monomethyl ether
Glycol methyl ether
Glycol monomethyl ether
Methoxyhydroxyethane
Methyl glycol
Methyl oxitol
Poly-Solv EM
Methyl Cellosolve
Methoxyethanol
Methoxyethylene glycol
β-Methoxyethanol
1-Hydroxy-2-methoxyethane
2-Methoxy-1-ethanol
Monomethylglycol
Ektasolve EM
2-Methoxyethyl alcohol
3-Oxa-1-butanol
Monoethylene glycol methyl ether
Amsco-Solv EE
2-Methyloxyethanol
NSC 1258
Hisolve MC

Identifiers:

SMILES:
COCCO
InChI:
InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 76.095 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 76.052429496 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 5 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 2 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 2 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 29.46 Ų RDKit

Physical Properties

Property Value Source
LogP -0.37489999999999996 RDKit
molecular_mass 76.10 g/mol Legacy Database
density 0.96 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/2-Methoxyethanol None Legacy Database
cas-boiling-point 124.1 °C None Legacy Database
cas-canonical-smile OCCOC None Legacy Database
cas-density 0.96 g/cm3 None Legacy Database
cas-inchi InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3 None Legacy Database
cas-inchi-key InChIKey=XNWFRZJHXBZDAG-UHFFFAOYSA-N None Legacy Database
cas-melting-point -85.1 °C None Legacy Database
cas-name 2-Methoxyethanol None Legacy Database
wikipedia-name 2-Methoxyethanol None Legacy Database

Molar

Property Value Source
Molar Refractivity 18.9618 RDKit

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