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Molecule
2-(2-Methylphenyl)Ethanol
CAS: 19819-98-8 · C9H12O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19819-98-8
- Molecular Formula
- C9H12O
- Molecular Mass
- 136.19 g/mol
Identifiers
CAS Registry Number
19819-98-8
SMILES
Cc1ccccc1CCO
InChI Key
RUGISKODRCWQNE-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O/c1-8-4-2-3-5-9(8)6-7-10/h2-5,10H,6-7H2,1H3
Names and Synonyms
- 2-(2-Methylphenyl)Ethanol Systematic Name
- Benzeneethanol, 2-methyl- Synonym
- Phenethyl alcohol, o-methyl- Synonym
- 2-Methylbenzeneethanol Synonym
- 2-(2-Methylphenyl)ethanol Synonym
- o-Methylphenethyl alcohol Synonym
- 2-Methylphenethyl alcohol Synonym
- NSC 409882 Synonym
- 2-(o-Tolyl)ethanol Synonym
- Peomosa Synonym
- 2-(o-Tolyl)ethan-1-ol Synonym
- 2-(2-Methylphenyl)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.19 g/mol | CAS Common Chemistry |
| 136.19400000000002 g/mol | RDKit | |
| 136.194 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.0195 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 243.5 °C | CAS Common Chemistry |
| Canonical SMILES | OCCC=1C=CC=CC1C | CAS Common Chemistry |
| InChI | InChI=1S/C9H12O/c1-8-4-2-3-5-9(8)6-7-10/h2-5,10H,6-7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RUGISKODRCWQNE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 2 °C | CAS Common Chemistry |
| Name | 2-(2-Methylphenyl)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | 1.52982 | RDKit |
| 1.5298 | RDKit | |
| Molar Refractivity | 41.968800000000016 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...
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200 ppm
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| 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 = 1.020 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H12O.
