Back to Search
Menthol
CAS: 1490-04-6 | C10H20O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1490-04-6
Molecular Formula:
C10H20O
Molecular Mass:
156.27 g/mol
Names and Synonyms:
Menthol
Cyclohexanol, 5-methyl-2-(1-methylethyl)-
Menthol
5-Methyl-2-(1-methylethyl)cyclohexanol
p-Menthan-3-ol
2-Isopropyl-5-methylcyclohexanol
3-Hydroxy-p-menthane
1-Methyl-4-isopropyl-3-cyclohexanol
Menthyl alcohol
2-Isopropyl-5-methylcyclohexan-1-ol
5-Methyl-2-isopropylcyclohexanol
2-(2-Propyl)-5-methyl-1-cyclohexanol
Identifiers:
SMILES:
CC1CCC(C(C)C)C(O)C1
InChI:
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3
Key Properties
Boiling Point
87 °C @ Press: 8 Torr
CAS Common Chemistry
Melting Point
-9 °C
CAS Common Chemistry
Density
0.91 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 | 156.27 g/mol | CAS Common Chemistry |
| 156.26899999999998 g/mol | RDKit | |
| 156.15141526 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.9084 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 87 °C @ Press: 8 Torr | CAS Common Chemistry |
| Canonical SMILES | OC1CC(C)CCC1C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NOOLISFMXDJSKH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -9 °C | CAS Common Chemistry |
| Name | Menthol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.4395000000000007 | RDKit |
| Molar Refractivity | 47.34980000000002 | RDKit |
