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Molecule
P-Cymen-7-Ol
CAS: 536-60-7 · C10H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 536-60-7
- Molecular Formula
- C10H14O
- Molecular Mass
- 150.22 g/mol
Identifiers
CAS Registry Number
536-60-7
SMILES
CC(C)c1ccc(CO)cc1
InChI Key
OIGWAXDAPKFNCQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3
Names and Synonyms
- P-Cymen-7-Ol Synonym
- Benzenemethanol, 4-(1-methylethyl)- Synonym
- p-Cymen-7-ol Synonym
- 4-(1-Methylethyl)benzenemethanol Synonym
- Cumic alcohol Synonym
- Cuminic alcohol Synonym
- Cuminol Synonym
- Cuminyl alcohol Synonym
- Cumyl alcohol Synonym
- p-Isopropylbenzyl alcohol Synonym
- 4-Isopropylbenzyl alcohol Synonym
- Cumin alcohol Synonym
- NSC 15672 Synonym
- (4-Isopropylphenyl)methanol Synonym
- 4-Isopropylbenzenemethanol Synonym
- p-Cumic alcohol Synonym
- [4-(Propan-2-yl)phenyl]methanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.22 g/mol | CAS Common Chemistry |
| 150.22099999999998 g/mol | RDKit | |
| 150.221 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.9818 g/cm3 @ 18.5 °C | CAS Common Chemistry | |
| Boiling Point | 249 °C | CAS Common Chemistry |
| Canonical SMILES | OCC1=CC=C(C=C1)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OIGWAXDAPKFNCQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 28 °C | CAS Common Chemistry |
| Name | p-Cymen-7-ol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.3023000000000007 | RDKit |
| 2.3023 | RDKit | |
| Molar Refractivity | 46.45380000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 150.104465068 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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Quick conversion
MW = 150.22 g/mol; density = 0.980 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14O.
