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1-(4-Methylphenyl)Ethanol
CAS: 536-50-5 | C9H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
536-50-5
Molecular Formula:
C9H12O
Molecular Weight:
136.194 g/mol
Names and Synonyms:
1-(4-Methylphenyl)Ethanol
Benzenemethanol, α,4-dimethyl-
Benzyl alcohol, p,α-dimethyl-
α,4-Dimethylbenzenemethanol
p,α-Dimethylbenzyl alcohol
Galinex
4-(α-Hydroxyethyl)toluene
4-Methyl-α-phenethyl alcohol
Methyl-p-tolylcarbinol
p-Tolylmethylcarbinol
1-p-Tolylethanol
1-(p-Methylphenyl)ethanol
Bilagen
Norbilan
Tomobil
(4-Methylphenyl)methylcarbinol
α,4-Dimethylbenzyl alcohol
1-(4-Methylphenyl)ethanol
Methyl p-methylphenyl carbinol
(±)-p,α-Dimethylbenzyl alcohol
dl-p,α-Dimethylbenzyl alcohol
(±)-α,4-Dimethylbenzenemethanol
(±)-1-(4-Methylphenyl)ethanol
NSC 41714
(±)-1-(p-Methylphenyl)ethanol
α-Methyl-4-methylbenzyl alcohol
Identifiers:
SMILES:
Cc1ccc(C(C)O)cc1
InChI:
InChI=1S/C9H12O/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8,10H,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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 136.194 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 136.088815004 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.04832 | RDKit |
| molecular_mass | 136.19 g/mol | Legacy Database |
| density | 0.98 g/cm³ | Legacy Database |
| cas-boiling-point | 219 °C None | Legacy Database |
| cas-canonical-smile | OC(C1=CC=C(C=C1)C)C None | Legacy Database |
| cas-density | 0.9832 g/cm3 @ Temp: 14 °C None | Legacy Database |
| cas-inchi | InChI=1S/C9H12O/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8,10H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=JESIHYIJKKUWIS-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 1-(4-Methylphenyl)ethanol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 41.81280000000002 | RDKit |
