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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
Names and Synonyms:
Menthyl Lactate
Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester
Lactic acid, p-menth-3-yl ester
1-Methyl-4-isopropyl-3-(2-hydroxypropionate)cyclohexanol
p-Menthyl lactate
Menthyl lactate
Frescolate ML
Covafresh II
Koko ML
Frescolat ML 620105
2-Isopropyl-5-methylcyclohexyl 2-hydroxypropanoate
Fema Gras 3748
2-Hydroxypropanoic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester
2-Hydroxy-propionic acid 2-isopropyl-5-methyl-cyclohexyl ester
Identifiers:
SMILES:
CC1CCC(C(C)C)C(OC(=O)C(C)O)C1
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
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 | 228.33 g/mol | CAS Common Chemistry |
| 228.33199999999997 g/mol | RDKit | |
| 228.172544628 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 |
| Molar Refractivity | 62.903800000000054 | RDKit |
