Back to Search
Ethyl Diethoxyacetate
CAS: 6065-82-3 | C8H16O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6065-82-3
Molecular Formula:
C8H16O4
Molecular Mass:
176.21 g/mol
Names and Synonyms:
Ethyl Diethoxyacetate
Acetic acid, 2,2-diethoxy-, ethyl ester
Glyoxylic acid, ethyl ester, 2-(diethyl acetal)
Glyoxylic acid, ethyl ester, diethyl acetal
Acetic acid, diethoxy-, ethyl ester
Ethyl 2,2-diethoxyacetate
Ethyl diethoxyacetate
Ethyl 2,2-bis(ethyloxy)acetate
2,2-Di(ethoxy)acetic acid ethyl ester
Identifiers:
SMILES:
CCOC(=O)C(OCC)OCC
InChI:
InChI=1S/C8H16O4/c1-4-10-7(9)8(11-5-2)12-6-3/h8H,4-6H2,1-3H3
Key Properties
Boiling Point
199 °C
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 | 176.21 g/mol | CAS Common Chemistry |
| 176.21199999999996 g/mol | RDKit | |
| 176.104858992 g/mol | RDKit | |
| Boiling Point | 199 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)C(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H16O4/c1-4-10-7(9)8(11-5-2)12-6-3/h8H,4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XCLBIKIQSCTANZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethyl diethoxyacetate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.760000000000005 Ų | RDKit |
| LogP | 0.9485999999999999 | RDKit |
| Molar Refractivity | 43.673000000000016 | RDKit |
