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Tartaric Acid
CAS: 87-69-4 | C4H6O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
87-69-4
Molecular Formula:
C4H6O6
Molecular Mass:
150.09 g/mol
Names and Synonyms:
Tartaric Acid
Butanedioic acid, 2,3-dihydroxy- (2R,3R)-
Tartaric acid, L-(+)-
Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-
(2R,3R)-2,3-Dihydroxybutanedioic acid
Dextrotartaric acid
d-α,β-Dihydroxysuccinic acid
Natural tartaric acid
L-Tartaric acid
Tartaric acid
L-(+)-Tartaric acid
Threaric acid
(+)-Tartaric acid
1,2-Dihydroxyethane-1,2-dicarboxylic acid
(R,R)-(+)-Tartaric acid
d-Tartaric acid
(R,R)-Tartaric acid
2,3-Dihydroxybutanedioic acid
(+)-(R,R)-Tartaric acid
(2R,3R)-(+)-Tartaric acid
(+)-L-Tartaric acid
(2R,3R)-Tartaric acid
E 334
Dihydroxysuccinic acid
NSC 62778
(2R,3R)-2,3-Dihydroxysuccinic acid
(+)-(2R,3R)-Tartaric acid
2,3-Dihydroxysuccinic acid
Tartaric acid (+L)
Identifiers:
SMILES:
O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChI:
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1
Key Properties
Boiling Point
95-97 °C
CAS Common Chemistry
Melting Point
169 °C
CAS Common Chemistry
Density
1.74 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 | 150.09 g/mol | CAS Common Chemistry |
| 150.08599999999998 g/mol | RDKit | |
| 150.016437912 g/mol | RDKit | |
| Density | 1.74 g/cm³ | CAS Common Chemistry |
| 1.737 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tartaric_acid | CAS Common Chemistry |
| Boiling Point | 95-97 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(O)C(O)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FEWJPZIEWOKRBE-JCYAYHJZSA-N | CAS Common Chemistry |
| Melting Point | 169 °C | CAS Common Chemistry |
| Name | (+)-Tartaric acid | CAS Common Chemistry |
| Tartaric acid | CAS Common Chemistry | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 115.06000000000002 Ų | RDKit |
| LogP | -2.1226 | RDKit |
| Molar Refractivity | 27.285199999999996 | RDKit |
