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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.
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 |