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Molecule
Terpineol
CAS: 98-55-5 · C10H18O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 98-55-5
- Molecular Formula
- C10H18O
- Molecular Mass
- 154.25 g/mol
Identifiers
CAS Registry Number
98-55-5
SMILES
CC1=CCC(C(C)(C)O)CC1
InChI Key
WUOACPNHFRMFPN-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3
Names and Synonyms
- Terpineol Common Name
- 3-Cyclohexene-1-methanol, α,α,4-trimethyl- Synonym
- p-Menth-1-en-8-ol Synonym
- α,α,4-Trimethyl-3-cyclohexene-1-methanol Synonym
- α-Terpineol Synonym
- 1-p-Menthen-8-ol Synonym
- Terpineol 350 Synonym
- 2-(4-Methyl-3-cyclohexenyl)-2-propanol Synonym
- 8-Hydroxy-p-menth-1-ene Synonym
- PC 593 Synonym
- dl-α-Terpineol Synonym
- (±)-α-Terpineol Synonym
- NSC 21449 Synonym
- NSC 403665 Synonym
- 4-(2-Hydroxy-2-propyl)-1-methylcyclohexene Synonym
- Pine Oil 593 Synonym
- 1,1-Dimethyl-1-(4-methylcyclohex-3-enyl)methanol Synonym
- Mil 350 Synonym
- 2-(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 | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Terpineol | 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 | CAS Common Chemistry |
| InChI Key | InChIKey=WUOACPNHFRMFPN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 35-40 °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 | 218-221 °C @ 764 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 = 154.25 g/mol; density = 0.940 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H18O.
