Back to Search
Dihydro-Α-Terpineol
CAS: 498-81-7 | C10H20O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
498-81-7
Molecular Formula:
C10H20O
Molecular Mass:
156.27 g/mol
Names and Synonyms:
Dihydro-Α-Terpineol
Cyclohexanemethanol, α,α,4-trimethyl-
p-Menthan-8-ol
α,α,4-Trimethylcyclohexanemethanol
Dihydro-α-terpineol
8-p-Menthanol
2-(4-Methylcyclohexyl)propan-2-ol
Identifiers:
SMILES:
CC1CCC(C(C)(C)O)CC1
InChI:
InChI=1S/C10H20O/c1-8-4-6-9(7-5-8)10(2,3)11/h8-9,11H,4-7H2,1-3H3
Key Properties
Boiling Point
115-117 °C @ Press: 0.4 Torr
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 |
| 156.26899999999995 g/mol | RDKit | |
| 156.15141526 g/mol | RDKit | |
| Boiling Point | 115-117 °C @ Press: 0.4 Torr | CAS Common Chemistry |
| Canonical SMILES | OC(C)(C)C1CCC(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H20O/c1-8-4-6-9(7-5-8)10(2,3)11/h8-9,11H,4-7H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UODXCYZDMHPIJE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dihydro-α-terpineol | 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 | 2.5836000000000006 | RDKit |
| Molar Refractivity | 47.41980000000002 | RDKit |
