Back to Search
Lactic Acid
CAS: 598-82-3 | C3H6O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
598-82-3
Molecular Formula:
C3H6O3
Molecular Weight:
90.07799999999999 g/mol
Names and Synonyms:
Lactic Acid
Synonym
Propanoic acid, 2-hydroxy-
Synonym
Lactic acid
Synonym
2-Hydroxypropanoic acid
Synonym
α-Hydroxypropionic acid
Synonym
2-Hydroxypropionic acid
Synonym
Milk acid
Synonym
α-Hydroxypropanoic acid
Synonym
Chem-Cast
Synonym
Biolac
Synonym
DL-Lactic acid
Synonym
Tonsillosan
Synonym
(±)-Lactic acid
Synonym
dl-Lactic acid
Synonym
Purac FCC 88
Synonym
2-Hydroxy-2-methylacetic acid
Synonym
E 270
Synonym
NSC 367919
Synonym
Purac FCC 80
Synonym
HiPure 88
Synonym
Lurex
Synonym
Purac HS 88
Synonym
Purac HS 100
Synonym
(RS)-2-Hydroxypropanoic acid
Synonym
Kiwilustre
Synonym
Musashino lactate 50F
Synonym
Masashino Lactic acid 90F
Synonym
Purac 55
Synonym
Purac 60
Synonym
Purac HS 50
Synonym
Rac-lactic acid
Synonym
Lactate
Synonym
Identifiers:
SMILES:
CC(O)C(=O)O
InChI:
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Failed to fetch
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 90.08 g/mol | Legacy Database |
| density | 1.25 g/cm³ | Legacy Database |
| cas-boiling-point | 122 °C @ Press: 14-15 Torr None | Legacy Database |
| cas-canonical-smile | O=C(O)C(O)C None | Legacy Database |
| cas-density | 1.249 g/cm3 @ Temp: 15 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6) None | Legacy Database |
| cas-inchi-key | InChIKey=JVTAAEKCZFNVCJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 16.8 °C None | Legacy Database |
| cas-name | Lactic acid None | Legacy Database |
| LogP | -0.5482 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 90.07799999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 90.031694052 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 57.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.3166 | RDKit |