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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 Mass:
136.19 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
Key Properties
Boiling Point
219 °C
CAS Common Chemistry
Density
0.98 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.19 g/mol | CAS Common Chemistry |
| 136.194 g/mol | RDKit | |
| 136.088815004 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.9832 g/cm3 @ Temp: 14 °C | CAS Common Chemistry | |
| Boiling Point | 219 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C1=CC=C(C=C1)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H12O/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8,10H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JESIHYIJKKUWIS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(4-Methylphenyl)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.04832 | RDKit |
| Molar Refractivity | 41.81280000000002 | RDKit |
