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Molecule
Dihydro-Α-Terpineol
CAS: 498-81-7 · C10H20O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 498-81-7
- Molecular Formula
- C10H20O
- Molecular Mass
- 156.27 g/mol
Identifiers
CAS Registry Number
498-81-7
SMILES
CC1CCC(C(C)(C)O)CC1
InChI Key
UODXCYZDMHPIJE-UHFFFAOYSA-N
InChI
InChI=1S/C10H20O/c1-8-4-6-9(7-5-8)10(2,3)11/h8-9,11H,4-7H2,1-3H3
Names and Synonyms
- Dihydro-Α-Terpineol Common Name
- Cyclohexanemethanol, α,α,4-trimethyl- Synonym
- p-Menthan-8-ol Synonym
- α,α,4-Trimethylcyclohexanemethanol Synonym
- Dihydro-α-terpineol Synonym
- 8-p-Menthanol Synonym
- 2-(4-Methylcyclohexyl)propan-2-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 156.27 g/mol | CAS Common Chemistry |
| 156.26899999999995 g/mol | RDKit | |
| 156.269 g/mol | RDKit | |
| 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 |
| 2.5836 | RDKit | |
| Molar Refractivity | 47.41980000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 156.15141526 g/mol | RDKit |
| Boiling Point | 115-117 °C @ 0.4 Torr | CAS Common Chemistry |
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 = 156.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H20O.
