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Molecule
Ethyl Lactate
CAS: 687-47-8 · C5H10O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 687-47-8
- Molecular Formula
- C5H10O3
- Molecular Mass
- 118.13 g/mol
Identifiers
CAS Registry Number
687-47-8
SMILES
CCOC(=O)[C@H](C)O
InChI Key
LZCLXQDLBQLTDK-BYPYZUCNSA-N
InChI
InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3/t4-/m0/s1
Names and Synonyms
- Ethyl Lactate Common Name
- Propanoic acid, 2-hydroxy-, ethyl ester, (2S)- Synonym
- Propanoic acid, 2-hydroxy-, ethyl ester, (S)- Synonym
- Lactic acid, ethyl ester, (-)- Synonym
- (-)-Ethyl lactate Synonym
- Ethyl L-lactate Synonym
- (S)-(-)-Ethyl lactate Synonym
- (S)-(-)-Lactic acid ethyl ester Synonym
- Ethyl (S)-lactate Synonym
- (S)-Lactic acid ethyl ester Synonym
- Ethyl (-)-(S)-lactate Synonym
- (-)-Ethyl 2-hydroxypropionate Synonym
- L-Ethyl lactate Synonym
- Ethyl (S)-2-hydroxypropionate Synonym
- (-)-Ethyl 2-hydroxypropanoate Synonym
- (L)-(-)-Ethyl lactate Synonym
- Ethyl (S)-2-hydroxypropanoate Synonym
- Ethyl (S)-(-)-2-hydroxypropionate Synonym
- (2S)-2-Hydroxypropionic acid ethyl ester Synonym
- Ethyl L-(-)-lactate Synonym
- Ethyl (2S)-(-)-2-hydroxypropanoate Synonym
- (2S)-2-Hydroxypropanoic acid ethyl ester Synonym
- (S)-2-Hydroxypropanoic acid ethyl ester Synonym
- Ethyl (2S)-2-hydroxypropanoate Synonym
- Ethyl (2S)-hydroxypropanoate Synonym
- Ethyl L-lactate Synonym
- (-)-Ethyl L-lactate Synonym
- (2S)-Ethyl 2-hydroxypropanoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.13 g/mol | CAS Common Chemistry |
| 118.13199999999998 g/mol | RDKit | |
| 118.132 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.025 g/cm3 @ 31 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethyl_lactate | 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/t4-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=LZCLXQDLBQLTDK-BYPYZUCNSA-N | CAS Common Chemistry |
| Name | Ethyl L-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 |
| -0.0697 | RDKit | |
| Molar Refractivity | 28.313799999999986 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 118.06299418 g/mol | RDKit |
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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MW = 118.13 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H10O3.
