Back to Search
(2S)-2-(Acetyloxy)Propanoic Acid
CAS: 6034-46-4 | C5H8O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6034-46-4
Molecular Formula:
C5H8O4
Molecular Mass:
132.11 g/mol
Names and Synonyms:
(2S)-2-(Acetyloxy)Propanoic Acid
Propanoic acid, 2-(acetyloxy)-, (2S)-
Lactic acid, acetate, L-
Propanoic acid, 2-(acetyloxy)-, (S)-
(2S)-2-(Acetyloxy)propanoic acid
(+)-Lactic acid acetate
(+)-α-Acetoxypropionic acid
α-(Acetyloxy)-L-propionic acid
2(S)-Acetoxypropionic acid
L-Lactic acid acetate
(S)-2-Acetoxypropionic acid
O-Acetyl-(S)-lactic acid
L-(+)-O-Acetylactic acid
(S)-2-Acetoxypropanoic acid
(S)-(+)-2-Acetoxypropionic acid
(S)-O-Acetyllactic acid
(2S)-2-Acetoxypropanoic acid
(S)-(+)-2-Acetoxypropanoic acid
(S)-(-)-2-Acetoxypropanoic acid
(2S)-2-Acetyloxypropionic acid
(-)-O-Acetyl-L-lactic acid
(S)-(-)-2-Acetoxypropionic acid
(2S)-2-Acetyloxypropanoic acid
Identifiers:
SMILES:
CC(=O)O[C@@H](C)C(=O)O
InChI:
InChI=1S/C5H8O4/c1-3(5(7)8)9-4(2)6/h3H,1-2H3,(H,7,8)/t3-/m0/s1
Key Properties
Boiling Point
137-138 °C @ Press: 15 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 | 132.11 g/mol | CAS Common Chemistry |
| 132.115 g/mol | RDKit | |
| 132.042258736 g/mol | RDKit | |
| Boiling Point | 137-138 °C @ Press: 15 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(OC(=O)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H8O4/c1-3(5(7)8)9-4(2)6/h3H,1-2H3,(H,7,8)/t3-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WTLNOANVTIKPEE-VKHMYHEASA-N | CAS Common Chemistry |
| Name | (2S)-2-(Acetyloxy)propanoic acid | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.60000000000001 Ų | RDKit |
| LogP | 0.022599999999999898 | RDKit |
| Molar Refractivity | 28.863799999999987 | RDKit |
