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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
Names and Synonyms:
Glycol Diacetate
1,2-Ethanediol, 1,2-diacetate
Ethylene glycol, diacetate
1,2-Ethanediol, diacetate
Ethylene acetate
Ethylene diacetate
Glycol diacetate
1,2-Diacetoxyethane
Ethanediol diacetate
Ethylene diethanoate
Aptex Donor H-plus
NSC 8853
Novaset NH
Novaset NH Medium Hardener
1,2-Ethanediyl diacetate
Ethylene glycol diacetate
EGDA
S 2000
2-Acetyloxyethyl acetate
2-(Acetyloxy)ethyl acetate
Flodur 3
Identifiers:
SMILES:
CC(=O)OCCOC(C)=O
InChI:
InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3
Key Properties
Boiling Point
190-191 °C
CAS Common Chemistry
Melting Point
-31 °C
CAS Common Chemistry
Density
1.10 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.14 g/mol | CAS Common Chemistry |
| 146.142 g/mol | RDKit | |
| 146.0579088 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 |
| Molar Refractivity | 33.26599999999999 | RDKit |
