1.0 2010-04-08 22:08:17 UTC 2019-11-26 03:03:21 UTC FDB008866 2',4'-Dimethylacetophenone Flavouring ingredient. 2',4'-Dimethylacetophenone is found in tea. (2,4-Dimethylphenyl)ethanone 1-(2,4-Dimethylphenyl)-ethanone 1-(2,4-Dimethylphenyl)ethanone 1-(2,4-Dimethylphenyl)ethanone, 9CI 2,4-Dimethylacetophenone 2', 4'-Dimethylacetophenone 2',4'-Dimethyl-acetophenone 4-Acetyl-m-xylene Acetophenone, 2',4'-dimethyl- Acetophenone, 2',4'-dimethyl- (8CI) Acetyl-m-xylene Ethanone, 1-(2, 4-dimethylphenyl)- Ethanone, 1-(2,4-dimethylphenyl)- FEMA 2387 Methyl 2,4-dimethylphenyl ketone C10H12O 148.2017 148.088815006 1-(2,4-dimethylphenyl)ethan-1-one 1-(2,4-dimethylphenyl)ethanone 89-74-7 CC(=O)C1=C(C)C=C(C)C=C1 InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6H,1-3H3 HSDSKVWQTONQBJ-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 m-Xylenes Acetophenone Alkyl-phenylketone Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Hydrocarbon derivative M-xylene Monocyclic benzene moiety Organic oxide Xylene logp 2.45 ALOGPS logs -2.75 ALOGPS solubility 2.64e-01 g/l ALOGPS logp 2.56 ChemAxon pka_strongest_acidic 16.34 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 1-(2,4-dimethylphenyl)ethan-1-one ChemAxon average_mass 148.2017 ChemAxon mono_mass 148.088815006 ChemAxon smiles CC(=O)C1=C(C)C=C(C)C=C1 ChemAxon formula C10H12O ChemAxon inchi InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6H,1-3H3 ChemAxon inchikey HSDSKVWQTONQBJ-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 46.54 ChemAxon polarizability 17.25 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5124 Specdb::MsIr 5125 Specdb::CMs 12047 Specdb::CMs 28670 Specdb::CMs 101080 Specdb::CMs 136592 Specdb::CMs 144326 Specdb::MsMs 97005 Specdb::MsMs 97006 Specdb::MsMs 97007 Specdb::MsMs 161637 Specdb::MsMs 161638 Specdb::MsMs 161639 Specdb::MsMs 2671260 Specdb::MsMs 2671261 Specdb::MsMs 2671262 Specdb::MsMs 3010992 Specdb::MsMs 3010993 Specdb::MsMs 3010994 HMDB32140 #<Reference:0x000055ce3196d4a8> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442 floral mimosa minty sweet woody