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Ethyl Lactate
CAS: 97-64-3 | C5H10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
97-64-3
Molecular Formula:
C5H10O3
Molecular Mass:
118.13 g/mol
Names and Synonyms:
Ethyl Lactate
Propanoic acid, 2-hydroxy-, ethyl ester
Lactic acid, ethyl ester
Actylol
Acytol
Ethyl α-hydroxypropionate
Ethyl lactate
Solactol
Ethyl 2-hydroxypropanoate
Ethyl 2-hydroxypropionate
Purasolv ELS
Ethyl rac-lactate
(±)-Ethyl lactate
DL-Ethyl lactate
dl-Lactic acid ethyl ester
(±)-Lactic acid ethyl ester
(±)-Ethyl 2-hydroxypropionate
2-Hydroxypropanoic acid ethyl ester
Vertec ELS
NSC 8850
PBR 40
VertecBio EL
Purasolv EL
Identifiers:
SMILES:
CCOC(=O)C(C)O
InChI:
InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3
Key Properties
Boiling Point
154 °C
CAS Common Chemistry
Melting Point
-25.0 °C
CAS Common Chemistry
Density
1.04 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 | 118.13 g/mol | CAS Common Chemistry |
| 118.13199999999998 g/mol | RDKit | |
| 118.06299418 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.0385 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 154 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LZCLXQDLBQLTDK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -25.0 °C | CAS Common Chemistry |
| Name | Ethyl lactate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | -0.06970000000000004 | RDKit |
| Molar Refractivity | 28.313799999999986 | RDKit |
