1.0 2010-04-08 22:09:59 UTC 2020-09-17 15:34:39 UTC FDB012106 Acetophenone Acetophenone, also known as 1-phenylethanone or acetylbenzene, belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. The chemical formula of acetophenone is C6H5C(O)CH3. It is the simplest aromatic ketone. This colourless, viscous liquid is a precursor to useful resins and fragrances. Acetophenone is used as a flavouring ingredient for fruit flavours and as a leavening agent. Acetophenone is also the starting material for the synthesis of some pharmaceuticals and is listed as an approved excipient by the U.S. FDA. Acetophenone is currently listed as a Group D carcinogen indicating that it does not produce carcinogenic effects in humans. In a 1994 report released by five top cigarette companies in the U.S., acetophenone was listed as one of the 599 additives to cigarettes. Acetophenone is found in many foods, some of which are chicory, spearmint, watermelon, rocket salad, and pepper (spice), apple, cheese, apricot, banana, beef, and cauliflower. α-acetophenone 1-Phenyl-1-ethanone 1-Phenyl-ethanone 1-phenylethan-1-one 1-Phenylethanone 1-Phenylethanone (acetophenone) 1-Phenylethanone, 9CI Acetofenon Acetophenon Acetyl-benzene Acetylbenzene Acetylbenzol alpha-Acetophenone Benzene, acetyl- Benzoyl methide Benzoylmethide Dymex Ethanone, 1-phenyl- FEMA 2009 Hypnon Hypnone Ketone, methyl phenyl Ketone, methyl phenyl- Methyl phenyl ketone Methyl phenyl-ketone Methylphenylketone nchem.180-comp5 Phenyl Phenyl methyl ketone Phenylethanone Phenylmethylketone C8H8O 120.1485 120.057514878 1-phenylethan-1-one acetophenone 98-86-2 CC(=O)C1=CC=CC=C1 InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3 KWOLFJPFCHCOCG-UHFFFAOYSA-N belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Alkyl-phenylketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic homomonocyclic compounds Acetophenones Aryl alkyl ketones Benzoyl derivatives Hydrocarbon derivatives Organic oxides Acetophenone Alkyl-phenylketone Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Hydrocarbon derivative Monocyclic benzene moiety Organic oxide a methyl-ethyl-ketone acetophenones an aromatic compound Liquid logp 1.65 ALOGPS logs -1.95 ALOGPS solubility 1.36e+00 g/l ALOGPS melting_point Mp 20° logp 1.53 ChemAxon pka_strongest_acidic 16.1 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 1-phenylethan-1-one ChemAxon average_mass 120.1485 ChemAxon mono_mass 120.057514878 ChemAxon smiles CC(=O)C1=CC=CC=C1 ChemAxon formula C8H8O ChemAxon inchi InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3 ChemAxon inchikey KWOLFJPFCHCOCG-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 36.46 ChemAxon polarizability 13.05 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6342 Specdb::MsIr 6343 Specdb::CMs 2675 Specdb::CMs 27026 Specdb::CMs 27027 Specdb::CMs 27107 Specdb::CMs 27503 Specdb::CMs 27545 Specdb::CMs 28664 Specdb::CMs 29597 Specdb::CMs 32300 Specdb::CMs 101441 Specdb::CMs 101442 Specdb::CMs 101443 Specdb::CMs 101444 Specdb::CMs 101445 Specdb::CMs 101446 Specdb::CMs 101447 Specdb::CMs 101448 Specdb::CMs 164424 Specdb::MsMs 12002 Specdb::MsMs 12003 Specdb::MsMs 12004 Specdb::MsMs 18674 Specdb::MsMs 18675 Specdb::MsMs 18676 Specdb::MsMs 2811866 Specdb::MsMs 2811867 Specdb::MsMs 2811868 Specdb::MsMs 2896443 Specdb::MsMs 2896444 Specdb::MsMs 2896445 Specdb::NmrOneD 4536 Specdb::NmrOneD 4666 Specdb::NmrOneD 5069 Specdb::NmrOneD 5070 Specdb::NmrOneD 123618 Specdb::NmrOneD 123619 Specdb::NmrOneD 123620 Specdb::NmrOneD 123621 Specdb::NmrOneD 123622 Specdb::NmrOneD 123623 Specdb::NmrOneD 123624 Specdb::NmrOneD 123625 Specdb::NmrOneD 123626 Specdb::NmrOneD 123627 Specdb::NmrOneD 123628 Specdb::NmrOneD 123629 Specdb::NmrOneD 123630 Specdb::NmrOneD 123631 Specdb::NmrOneD 123632 Specdb::NmrOneD 123633 Specdb::NmrOneD 123634 Specdb::NmrOneD 123635 Specdb::NmrOneD 123636 Specdb::NmrOneD 123637 HMDB33910 27632 AC0 #<Reference:0x000055ce3254f780> #<Reference:0x000055ce3254f5c8> Black tea Type 1 Blackberry Type 1 specific Rubus Cauliflower Type 1 specific Brassica oleracea var. botrytis 3715 Cherry tomato Type 1 specific Solanum lycopersicum var. cerasiforme 195583 Chicory Type 1 specific Cichorium intybus 13427 Cloves Type 1 specific Syzygium aromaticum 219868 Corn Type 1 specific Zea mays 4577 0.0 0.0 0.0 mg/100 g Evergreen blackberry Type 1 specific Rubus laciniatus Garden tomato Type 1 specific Solanum lycopersicum 4081 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 Green tea Type 1 Herbal tea Type 1 Pepper (Spice) Type 1 specific Piper nigrum 13216 Prickly pear Type 1 specific Opuntia 106975 Red tea Type 1 Rocket salad (ssp.) Type 1 specific Eruca vesicaria ssp. sativa 29727 Spearmint Type 1 specific Mentha spicata 29719 Tea Type 1 specific Camellia sinensis 4442 Tortilla Type 2 specific 0.0 0.0 0.0 mg/100 g Watermelon Type 1 specific Citrullus lanatus 3654 Wild celery Type 1 specific Apium graveolens 4045 acacia almond bitter chemical flower hawthorn hawthorne mimosa must pungent sweet Anti bacterial 145 A substance that kills or slows the growth of bacteria. Fungicide 940 A substance used to destroy fungal pests. Hypnotic 1012 Perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Soporific 1318