Back to Search
Molecule
Ethylene Glycol Monomethyl Ether Acetate
CAS: 110-49-6 · C5H10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 110-49-6
- Molecular Formula
- C5H10O3
- Molecular Mass
- 118.13 g/mol
Identifiers
CAS Registry Number
110-49-6
SMILES
COCCOC(C)=O
InChI Key
XLLIQLLCWZCATF-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3
Names and Synonyms
- Ethylene Glycol Monomethyl Ether Acetate Synonym
- Ethanol, 2-methoxy-, 1-acetate Synonym
- Ethanol, 2-methoxy-, acetate Synonym
- Glycol monomethyl ether acetate Synonym
- 2-Methoxyethyl acetate Synonym
- Methyl Cellosolve acetate Synonym
- Methyl glycol acetate Synonym
- β-Methoxyethyl acetate Synonym
- Ethylene glycol methyl ether acetate Synonym
- 2-Methoxyethanol acetate Synonym
- Ethylene glycol acetate monomethyl ether Synonym
- Acetyl methyl cellosolve Synonym
- Ethylene glycol monomethyl ether acetate Synonym
- 1-Acetoxy-2-methoxyethane Synonym
- MC acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.13 g/mol | CAS Common Chemistry |
| 118.13199999999999 g/mol | RDKit | |
| 118.132 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.0074 g/cm3 @ 19 °C | CAS Common Chemistry | |
| Boiling Point | 145 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCOC)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XLLIQLLCWZCATF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -65.1 °C | CAS Common Chemistry |
| Name | Ethylene glycol monomethyl ether acetate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 0.19590000000000019 | RDKit |
| 0.1959 | RDKit | |
| Molar Refractivity | 28.508999999999986 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 118.06299418 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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
Convert
Quick conversion
MW = 118.13 g/mol; density = 1.010 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H10O3.
