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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 Weight:
150.22099999999998 g/mol
Names and Synonyms:
P-Cymen-7-Ol
Benzenemethanol, 4-(1-methylethyl)-
p-Cymen-7-ol
4-(1-Methylethyl)benzenemethanol
Cumic alcohol
Cuminic alcohol
Cuminol
Cuminyl alcohol
Cumyl alcohol
p-Isopropylbenzyl alcohol
4-Isopropylbenzyl alcohol
Cumin alcohol
NSC 15672
(4-Isopropylphenyl)methanol
4-Isopropylbenzenemethanol
p-Cumic alcohol
[4-(Propan-2-yl)phenyl]methanol
Identifiers:
SMILES:
CC(C)c1ccc(CO)cc1
InChI:
InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3
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 | 150.22 g/mol | Legacy Database |
| density | 0.98 g/cm³ | Legacy Database | |
| cas-boiling-point | 249 °C | Legacy Database | |
| cas-canonical-smile | OCC1=CC=C(C=C1)C(C)C | Legacy Database | |
| cas-density | 0.9818 g/cm3 @ Temp: 18.5 °C | Legacy Database | |
| cas-inchi | InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3 | Legacy Database | |
| cas-inchi-key | InChIKey=OIGWAXDAPKFNCQ-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 28 °C | Legacy Database | |
| cas-name | p-Cymen-7-ol | Legacy Database | |
| LogP | 2.3023000000000007 | RDKit | |
| Molecular | Molecular Weight | 150.22099999999998 g/mol | RDKit |
| Exact | Exact Molecular Weight | 150.104465068 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 | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 20.23 Ų | RDKit |
| Molar | Molar Refractivity | 46.45380000000003 | RDKit |
