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Molecule
Glycol Diacetate
CAS: 111-55-7 · C6H10O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 111-55-7
- Molecular Formula
- C6H10O4
- Molecular Mass
- 146.14 g/mol
Identifiers
CAS Registry Number
111-55-7
SMILES
CC(=O)OCCOC(C)=O
InChI Key
JTXMVXSTHSMVQF-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3
Names and Synonyms
- Glycol Diacetate Common Name
- 1,2-Ethanediol, 1,2-diacetate Synonym
- Ethylene glycol, diacetate Synonym
- 1,2-Ethanediol, diacetate Synonym
- Ethylene acetate Synonym
- Ethylene diacetate Synonym
- Glycol diacetate Synonym
- 1,2-Diacetoxyethane Synonym
- Ethanediol diacetate Synonym
- Ethylene diethanoate Synonym
- Aptex Donor H-plus Synonym
- NSC 8853 Synonym
- Novaset NH Synonym
- Novaset NH Medium Hardener Synonym
- 1,2-Ethanediyl diacetate Synonym
- Ethylene glycol diacetate Synonym
- EGDA Synonym
- S 2000 Synonym
- 2-Acetyloxyethyl acetate Synonym
- 2-(Acetyloxy)ethyl acetate Synonym
- Flodur 3 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.14 g/mol | CAS Common Chemistry |
| 146.142 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.104 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 190-191 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCOC(=O)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JTXMVXSTHSMVQF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -31 °C | CAS Common Chemistry |
| Name | Glycol diacetate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | 0.11260000000000003 | RDKit |
| 0.1126 | RDKit | |
| Molar Refractivity | 33.26599999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 146.0579088 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
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Quick conversion
MW = 146.14 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H10O4.
