α-Hydroxyacetophenone

C₈H₈O₂CAS 582-24-1136.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₈O₂
Molar mass: 136.15 g/mol
Exact mass: 136.0524 Da
Melting point: 90 °C
Boiling point: 140 °C (at 14 Torr)
logP: 0.86Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

582-24-1

SMILES

O=C(CO)c1ccccc1

InChIKey

ZWVHTXAYIKBMEE-UHFFFAOYSA-N

InChI

InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

17 names · show all

Ethanone, 2-hydroxy-1-phenyl-
Acetophenone, 2-hydroxy-
Acetophenone, α-hydroxy-
2-Hydroxy-1-phenylethanone
Benzoylcarbinol
Glycolophenone
Methanol, benzoyl-
Phenacyl alcohol
2-Hydroxyacetophenone
ω-Hydroxyacetophenone
(Hydroxyacetyl)benzene
Benzoylmethanol
2-Phenyl-2-oxoethanol
NSC 171232
Hydroxymethyl phenyl ketone
1-Phenyl-2-hydroxyethanone
2-Hydroxy-1-phenylethan-1-one

Reactions

α-Hydroxylation of a ketone using o-iodosylbenzoic acid: α-hydroxyacetophenone via the α-hydroxy dimethylacetal (Ethanone, 2-hydroxy-1-phenyl-)product

Work with α-Hydroxyacetophenone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Diphenyl-1,4-butanedione495-71-663 % similar 1-(4-Fluorophenyl)-2-hydroxyethanone403-31-661 % similar 1,6-Diphenyl-1,6-hexanedione3375-38-058 % similar 2-Aminoacetophenone613-89-858 % similar 2-Fluoro-1-phenylethanone450-95-356 % similar Phenacyl chloride532-27-456 % similar Propiophenone93-55-056 % similar Benzoylacetic acid614-20-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Phenylacetic acid103-82-2 Benzyl formate104-57-4 2'-Hydroxyacetophenone104809-67-8 O-Toluic acid118-90-1 2′-Hydroxyacetophenone118-93-4 3-Hydroxyacetophenone121-71-1 Phenyl acetate122-79-2 4-Anisaldehyde123-11-5

Elsewhere

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