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Molecule
Α-Hydroxyacetophenone
CAS: 582-24-1 · C8H8O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 582-24-1
- Molecular Formula
- C8H8O2
- Molecular Mass
- 136.15 g/mol
Identifiers
CAS Registry Number
582-24-1
SMILES
O=C(CO)c1ccccc1
InChI Key
ZWVHTXAYIKBMEE-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2
Names and Synonyms
- Α-Hydroxyacetophenone Common Name
- Ethanone, 2-hydroxy-1-phenyl- Synonym
- Acetophenone, 2-hydroxy- Synonym
- Acetophenone, α-hydroxy- Synonym
- 2-Hydroxy-1-phenylethanone Synonym
- Benzoylcarbinol Synonym
- Glycolophenone Synonym
- Methanol, benzoyl- Synonym
- Phenacyl alcohol Synonym
- 2-Hydroxyacetophenone Synonym
- α-Hydroxyacetophenone Synonym
- ω-Hydroxyacetophenone Synonym
- (Hydroxyacetyl)benzene Synonym
- Benzoylmethanol Synonym
- 2-Phenyl-2-oxoethanol Synonym
- NSC 171232 Synonym
- Hydroxymethyl phenyl ketone Synonym
- 1-Phenyl-2-hydroxyethanone Synonym
- 2-Hydroxy-1-phenylethan-1-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.15 g/mol | CAS Common Chemistry |
| 136.14999999999998 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C=CC=CC1)CO | CAS Common Chemistry |
| InChI | InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZWVHTXAYIKBMEE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 90 °C | CAS Common Chemistry |
| Name | α-Hydroxyacetophenone | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 0.8615999999999999 | RDKit |
| 0.8616 | RDKit | |
| Molar Refractivity | 37.858300000000014 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 136.052429496 g/mol | RDKit |
| Boiling Point | 140 °C @ 14 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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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 = 136.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H8O2.
