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(-)-Diethyl Tartrate
CAS: 13811-71-7 | C8H14O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13811-71-7
Molecular Formula:
C8H14O6
Molecular Mass:
206.19 g/mol
Names and Synonyms:
(-)-Diethyl Tartrate
Butanedioic acid, 2,3-dihydroxy-, 1,4-diethyl ester, (2S,3S)-
Butanedioic acid, 2,3-dihydroxy-, diethyl ester, [S-(R*,R*)]-
Tartaric acid, diethyl ester, (-)-
D-Tartaric acid diethyl ester
(-)-Diethyl tartrate
Diethyl D-tartrate
Diethyl (2S,3S)-(-)-tartrate
Diethyl D-(-)-tartrate
Diethyl (S,S)-(-)-tartrate
D-(-)-Diethyl tartrate
(S,S)-Diethyl tartrate
Diethyl (-)-D-tartrate
(2S,3S)-Diethyl tartrate
D-Diethyl tartarate
D-Ethyl tartrate
(-)-Diethyl D-tartarate
D-(-)DET
D-(-)-Tartaric acid diethyl ester
Identifiers:
SMILES:
CCOC(=O)[C@@H](O)[C@H](O)C(=O)OCC
InChI:
InChI=1S/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3/t5-,6-/m0/s1
Key Properties
Boiling Point
126-127 °C @ Press: 2 Torr
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 | 206.19 g/mol | CAS Common Chemistry |
| 206.19399999999996 g/mol | RDKit | |
| 206.079038168 g/mol | RDKit | |
| Boiling Point | 126-127 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)C(O)C(O)C(=O)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3/t5-,6-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=YSAVZVORKRDODB-WDSKDSINSA-N | CAS Common Chemistry |
| Name | (-)-Diethyl tartrate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 93.06000000000002 Ų | RDKit |
| LogP | -1.1656000000000004 | RDKit |
| Molar Refractivity | 45.27960000000002 | RDKit |
