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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
Names and Synonyms:
Lactic Acid
Propanoic acid, 2-hydroxy-
Lactic acid
2-Hydroxypropanoic acid
α-Hydroxypropionic acid
2-Hydroxypropionic acid
Milk acid
α-Hydroxypropanoic acid
Chem-Cast
Biolac
DL-Lactic acid
Tonsillosan
(±)-Lactic acid
dl-Lactic acid
Purac FCC 88
2-Hydroxy-2-methylacetic acid
E 270
NSC 367919
Purac FCC 80
HiPure 88
Lurex
Purac HS 88
Purac HS 100
(RS)-2-Hydroxypropanoic acid
Kiwilustre
Musashino lactate 50F
Masashino Lactic acid 90F
Purac 55
Purac 60
Purac HS 50
Rac-lactic acid
Lactate
Identifiers:
SMILES:
CC(O)C(=O)O
InChI:
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
Key Properties
Boiling Point
122 °C @ Press: 14-15 Torr
CAS Common Chemistry
Melting Point
16.8 °C
CAS Common Chemistry
Density
1.25 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 | 90.08 g/mol | CAS Common Chemistry |
| 90.07799999999999 g/mol | RDKit | |
| 90.031694052 g/mol | RDKit | |
| Density | 1.25 g/cm³ | CAS Common Chemistry |
| 1.249 g/cm3 @ Temp: 15 °C | CAS Common Chemistry | |
| Boiling Point | 122 °C @ Press: 14-15 Torr | 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 | RDKit |
