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Terpineol
CAS: 98-55-5 | C10H18O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
98-55-5
Molecular Formula:
C10H18O
Molecular Weight:
154.25299999999996 g/mol
Names and Synonyms:
Terpineol
2-(4-Methylcyclohex-3-en-1-yl)propan-2-ol
Mil 350
1,1-Dimethyl-1-(4-methylcyclohex-3-enyl)methanol
Pine Oil 593
4-(2-Hydroxy-2-propyl)-1-methylcyclohexene
NSC 403665
NSC 21449
(±)-α-Terpineol
dl-α-Terpineol
PC 593
8-Hydroxy-p-menth-1-ene
2-(4-Methyl-3-cyclohexenyl)-2-propanol
Terpineol 350
1-p-Menthen-8-ol
α-Terpineol
α,α,4-Trimethyl-3-cyclohexene-1-methanol
p-Menth-1-en-8-ol
3-Cyclohexene-1-methanol, α,α,4-trimethyl-
Identifiers:
SMILES:
CC1=CCC(C(C)(C)O)CC1
InChI:
InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 154.25 g/mol | Legacy Database |
| density | 0.94 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Terpineol | Legacy Database | |
| cas-boiling-point | 218-221 °C @ Press: 764 Torr | Legacy Database | |
| cas-canonical-smile | OC(C)(C)C1CC=C(C)CC1 | Legacy Database | |
| cas-density | 0.935 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3 | Legacy Database | |
| cas-inchi-key | InChIKey=WUOACPNHFRMFPN-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 35-40 °C | Legacy Database | |
| cas-name | α-Terpineol | Legacy Database | |
| wikipedia-name | Terpineol | Legacy Database | |
| LogP | 2.503700000000001 | RDKit | |
| Molecular | Molecular Weight | 154.25299999999996 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.135765196 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 20.23 Ų | RDKit |
| Molar | Molar Refractivity | 47.39580000000002 | RDKit |
