Back to Search
Molecule
Menthyl Lactate
CAS: 17162-29-7 · C13H24O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 17162-29-7
- Molecular Formula
- C13H24O3
- Molecular Mass
- 228.33 g/mol
Identifiers
CAS Registry Number
17162-29-7
SMILES
CC1CCC(C(C)C)C(OC(=O)C(C)O)C1
InChI Key
UJNOLBSYLSYIBM-UHFFFAOYSA-N
InChI
InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3
Names and Synonyms
- Menthyl Lactate Synonym
- Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester Synonym
- Lactic acid, p-menth-3-yl ester Synonym
- 1-Methyl-4-isopropyl-3-(2-hydroxypropionate)cyclohexanol Synonym
- p-Menthyl lactate Synonym
- Menthyl lactate Synonym
- Frescolate ML Synonym
- Covafresh II Synonym
- Koko ML Synonym
- Frescolat ML 620105 Synonym
- 2-Isopropyl-5-methylcyclohexyl 2-hydroxypropanoate Synonym
- Fema Gras 3748 Synonym
- 2-Hydroxypropanoic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester Synonym
- 2-Hydroxy-propionic acid 2-isopropyl-5-methyl-cyclohexyl ester Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 228.33 g/mol | CAS Common Chemistry |
| 228.33199999999997 g/mol | RDKit | |
| 228.332 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1CC(C)CCC1C(C)C)C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UJNOLBSYLSYIBM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Menthyl lactate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 2.371200000000001 | RDKit |
| 2.3712 | RDKit | |
| Molar Refractivity | 62.903800000000054 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9231 | RDKit |
| 0.92 | chempirical lib | |
| Exact Mass | 228.172544628 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
Convert
Quick conversion
MW = 228.33 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H24O3.
