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Molecule
Terpinen-4-Ol
CAS: 562-74-3 · C10H18O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 562-74-3
- Molecular Formula
- C10H18O
- Molecular Mass
- 154.25 g/mol
Identifiers
CAS Registry Number
562-74-3
SMILES
CC1=CCC(O)(C(C)C)CC1
InChI Key
WRYLYDPHFGVWKC-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3
Names and Synonyms
- Terpinen-4-Ol Synonym
- 3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)- Synonym
- p-Menth-1-en-4-ol Synonym
- 4-Methyl-1-(1-methylethyl)-3-cyclohexen-1-ol Synonym
- 4-Carvomenthenol Synonym
- Terpinen-4-ol Synonym
- 1-Terpinen-4-ol Synonym
- 4-Terpinenol Synonym
- 4-Terpineol Synonym
- Terpineol-4 Synonym
- 4-Methyl-1-isopropyl-3-cyclohexen-1-ol Synonym
- Terpinene-4-ol Synonym
- 1-(1-Methylethyl)-4-methyl-3-cyclohexen-1-ol Synonym
- dl-4-Terpineol Synonym
- (±)-4-Terpineol Synonym
- (±)-Terpinen-4-ol Synonym
- Melaleucol Synonym
- NSC 147749 Synonym
- Terpin-4-ol Synonym
- 1-Isopropyl-4-methylcyclohex-3-en-1-ol Synonym
- 4-Methyl-1-(1-methylethyl)-3-cyclohexene-1-ol Synonym
- 1-Terpen-4-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 | 0.93 g/cm³ | CAS Common Chemistry |
| 0.9275 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Terpinen-4-ol | CAS Common Chemistry |
| Boiling Point | 209 °C | CAS Common Chemistry |
| Canonical SMILES | OC1(CC=C(C)CC1)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WRYLYDPHFGVWKC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 137-188 °C | CAS Common Chemistry |
| Name | Terpinen-4-ol | 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 | 2.5037000000000003 | RDKit |
| 2.5037 | RDKit | |
| Molar Refractivity | 47.39580000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 154.135765196 g/mol | RDKit |
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 = 0.930 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H18O.
