Back to Search
NSC 147749
CAS: 562-74-3 | C10H18O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
562-74-3
Molecular Formula:
C10H18O
Molecular Weight:
154.25299999999996 g/mol
Names and Synonyms:
NSC 147749
Terpinen-4-Ol
3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-
p-Menth-1-en-4-ol
4-Methyl-1-(1-methylethyl)-3-cyclohexen-1-ol
4-Carvomenthenol
Terpinen-4-ol
1-Terpinen-4-ol
4-Terpinenol
4-Terpineol
Terpineol-4
4-Methyl-1-isopropyl-3-cyclohexen-1-ol
Terpinene-4-ol
1-(1-Methylethyl)-4-methyl-3-cyclohexen-1-ol
dl-4-Terpineol
(±)-4-Terpineol
(±)-Terpinen-4-ol
Melaleucol
Terpin-4-ol
1-Isopropyl-4-methylcyclohex-3-en-1-ol
4-Methyl-1-(1-methylethyl)-3-cyclohexene-1-ol
1-Terpen-4-ol
Identifiers:
SMILES:
CC1=CCC(O)(C(C)C)CC1
InChI:
InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,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 |
|---|---|---|---|
| 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 |
| Physical Properties | LogP | 2.5037000000000003 | RDKit |
| molecular_mass | 154.25 g/mol | Legacy Database | |
| density | 0.93 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Terpinen-4-ol | Legacy Database | |
| cas-boiling-point | 209 °C | Legacy Database | |
| cas-canonical-smile | OC1(CC=C(C)CC1)C(C)C | Legacy Database | |
| cas-density | 0.9275 g/cm3 @ Temp: 15 °C | Legacy Database | |
| cas-inchi | InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3 | Legacy Database | |
| cas-inchi-key | InChIKey=WRYLYDPHFGVWKC-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 137-188 °C | Legacy Database | |
| cas-name | Terpinen-4-ol | Legacy Database | |
| wikipedia-name | Terpinen-4-ol | Legacy Database | |
| Molar | Molar Refractivity | 47.39580000000003 | RDKit |
