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Molecule
(-)-Α-Terpineol
CAS: 10482-56-1 · C10H18O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10482-56-1
- Molecular Formula
- C10H18O
- Molecular Mass
- 154.25 g/mol
Identifiers
CAS Registry Number
10482-56-1
SMILES
CC1=CC[C@@H](C(C)(C)O)CC1
InChI Key
WUOACPNHFRMFPN-SECBINFHSA-N
InChI
InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1
Names and Synonyms
- (-)-Α-Terpineol Common Name
- 3-Cyclohexene-1-methanol, α,α,4-trimethyl-, (1S)- Synonym
- p-Menth-1-en-8-ol, (S)-(-)- Synonym
- 3-Cyclohexene-1-methanol, α,α,4-trimethyl-, (S)- Synonym
- (1S)-α,α,4-Trimethyl-3-cyclohexene-1-methanol Synonym
- l-α-Terpineol Synonym
- (-)-α-Terpineol Synonym
- α-Terpineol, (-)- Synonym
- (S)-α-Terpineol Synonym
- (S)-(-)-α-Terpineol Synonym
- (S)-(-)-Terpineol Synonym
- (S)-α,α,4-Trimethyl-3-cyclohexene-1-methanol Synonym
- 2-[(1S)-4-Methylcyclohex-3-en-1-yl]propan-2-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.25 g/mol | CAS Common Chemistry |
| 154.25299999999996 g/mol | RDKit | |
| 154.253 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.935 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | OC(C)(C)C1CC=C(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WUOACPNHFRMFPN-SECBINFHSA-N | CAS Common Chemistry |
| Melting Point | 33 °C | CAS Common Chemistry |
| Name | (-)-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 | 2.503700000000001 | RDKit |
| 2.5037 | RDKit | |
| Molar Refractivity | 47.39580000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 154.135765196 g/mol | RDKit |
| Boiling Point | 80-81.5 °C @ 5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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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Quick conversion
MW = 154.25 g/mol; density = 0.940 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H18O.
