Acetophenone

C8H8OCAS 98-86-2120.15 g/mol

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O
Ketone

Properties

Molecular formula
C8H8O
Molar mass
120.15 g/mol
Exact mass
120.0575 Da
Density
1.033 g/mL (at 15 °C)
Melting point
20.5 °C
Boiling point
202 °C
Flash point
76.7 °C (closed cup)
Water solubility
6.13 g/L (25 °C)
logP
1.89Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 606-042-00-1), via PubChem.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
98-86-2
SMILES
CC(=O)c1ccccc1
InChIKey
KWOLFJPFCHCOCG-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3

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Names and synonyms

13 names · show all
  • Ethanone, 1-phenyl-
  • 1-Phenylethanone
  • Acetylbenzene
  • Hypnone
  • Methyl phenyl ketone
  • Phenyl methyl ketone
  • Acetophenon
  • Hypnon
  • 1-Phenyl-1-ethanone
  • NSC 98542
  • NSC 7635
  • 1-Feniletanone
  • Benzoylmethane

Reactions

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 98-86-2. Each row opens the sheet with its composition and PDF.

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Work with Acetophenone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Acetylbiphenyl92-91-174 % similar 1,4-Diacetylbenzene1009-61-674 % similar 1,3-Diacetylbenzene6781-42-668 % similar 1-[4-(Phenylthio)phenyl]ethanone10169-55-865 % similar 1-[4-(2-Phenylethynyl)phenyl]ethanone1942-31-065 % similar 4′-Phenoxyacetophenone5031-78-765 % similar 4,4'-Diacetylbiphenyl787-69-964 % similar 3′-Methylacetophenone585-74-062 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methylbenzaldehyde104-87-0 Phenylacetaldehyde122-78-1 (+)-Styrene oxide20780-53-4 (S)-Styrene oxide20780-54-5 4-Vinylphenol2628-17-3 Phthalane496-14-0 Dihydrobenzofuran496-16-2 2-Methylbenzaldehyde529-20-4

Elsewhere

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