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Molecule
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 Mass
- 90.08 g/mol
Identifiers
CAS Registry Number
598-82-3
SMILES
CC(O)C(=O)O
InChI Key
JVTAAEKCZFNVCJ-UHFFFAOYSA-N
InChI
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 90.08 g/mol | CAS Common Chemistry |
| 90.07799999999999 g/mol | RDKit | |
| 90.078 g/mol | RDKit | |
| Density | 1.25 g/cm³ | CAS Common Chemistry |
| 1.249 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(O)C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=JVTAAEKCZFNVCJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 16.8 °C | CAS Common Chemistry |
| Name | Lactic acid | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | -0.5482 | RDKit |
| Molar Refractivity | 19.3166 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 90.031694052 g/mol | RDKit |
| Boiling Point | 122 °C @ 14-15 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 90.08 g/mol; density = 1.250 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H6O3.
