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Molecule
1-(4-Methylphenyl)Ethanol
CAS: 536-50-5 · C9H12O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 536-50-5
- Molecular Formula
- C9H12O
- Molecular Mass
- 136.19 g/mol
Identifiers
CAS Registry Number
536-50-5
SMILES
Cc1ccc(C(C)O)cc1
InChI Key
JESIHYIJKKUWIS-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8,10H,1-2H3
Names and Synonyms
- 1-(4-Methylphenyl)Ethanol Synonym
- Benzenemethanol, α,4-dimethyl- Synonym
- Benzyl alcohol, p,α-dimethyl- Synonym
- α,4-Dimethylbenzenemethanol Synonym
- p,α-Dimethylbenzyl alcohol Synonym
- Galinex Synonym
- 4-(α-Hydroxyethyl)toluene Synonym
- 4-Methyl-α-phenethyl alcohol Synonym
- Methyl-p-tolylcarbinol Synonym
- p-Tolylmethylcarbinol Synonym
- 1-p-Tolylethanol Synonym
- 1-(p-Methylphenyl)ethanol Synonym
- Bilagen Synonym
- Norbilan Synonym
- Tomobil Synonym
- (4-Methylphenyl)methylcarbinol Synonym
- α,4-Dimethylbenzyl alcohol Synonym
- 1-(4-Methylphenyl)ethanol Synonym
- Methyl p-methylphenyl carbinol Synonym
- (±)-p,α-Dimethylbenzyl alcohol Synonym
- dl-p,α-Dimethylbenzyl alcohol Synonym
- (±)-α,4-Dimethylbenzenemethanol Synonym
- (±)-1-(4-Methylphenyl)ethanol Synonym
- NSC 41714 Synonym
- (±)-1-(p-Methylphenyl)ethanol Synonym
- α-Methyl-4-methylbenzyl alcohol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.19 g/mol | CAS Common Chemistry |
| 136.194 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.9832 g/cm3 @ 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 |
| 2.0483 | RDKit | |
| 2.15 | chempirical lib | |
| Molar Refractivity | 41.81280000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 136.088815004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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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MW = 136.19 g/mol; density = 0.980 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H12O.
