Acetophenone

Synonyms: Acetophenone, "1-Phenylethanone", "Methyl phenyl ketone", "Acetylbenzene", "Phenyl methyl ketone", "Hypnone", "Benzoyl methide", "Acetophenon", "1-phenylethan-1-one", "Acetylbenzol", "1-Phenyl-1-ethanone", "Benzoylmethide", "Benzene, acetyl-", "Acetofenon", "Ketone, methyl phenyl", "1-phenyl-ethanone", "Phenylethanone", "methylphenylketone".

Source: Acetophenone is used as a component of perfumes and as an intermediate for the manufacture of pharmaceuticals, resins and alcohols.

Identifiers:

IUPAC Name: 1-phenylethanone
CAS Number: 98-86-2
PubChem ID: 7410
InChiKey: KWOLFJPFCHCOCG-UHFFFAOYSA-N
Canonical SMILES: CC(=O)C1=CC=CC=C1

Structural Properties:

Molecular Formula: C₈H₈O
Molecular Weight: 120.15

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 9

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Evidence Supporting This Chemical as an Emerging Contaminant

Montes-Grajales, D., Fennix-Agudelo, M., & Miranda-Castro, W. (2017). Occurrence of personal care products as emerging chemicals of concern in water resources: A review. Science of the Total Environment, 595, 601-614.

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