1.0 2010-04-08 22:09:09 UTC 2019-11-26 03:03:38 UTC FDB010500 2'-Hydroxyacetophenone Present in tomato, cassia (Cinnamomum cassia), fried beef, rum, whiskey, cocoa, coffee and black tea. Flavouring ingredient. 2'-Hydroxyacetophenone is found in many foods, some of which are garden tomato, tea, chinese cinnamon, and herbs and spices. 1-(2-Hydroxyphenyl)ethanone, 9CI 2-Acetylphenol 2-Hydroxyacetophenone 2-Hydroxyacetylbenzene 2-Hydroxyphenyl methyl ketone Acetophenone, 2'-hydroxy- (8CI) FEMA 3548 Methyl 2-hydroxyphenyl ketone o-Acetylphenol o-Hydroxyacetophenone o-Hydroxyphenyl methyl ketone C8H8O2 136.1479 136.0524295 1-(2-hydroxyphenyl)ethan-1-one o-acetylphenol 118-93-4 CC(=O)C1=CC=CC=C1O InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3 JECYUBVRTQDVAT-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 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetophenones Aryl alkyl ketones Benzoyl derivatives Hydrocarbon derivatives Organic oxides Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetophenone Alkyl-phenylketone Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Phenol Vinylogous acid Liquid logp 1.57 ALOGPS logs -1.48 ALOGPS solubility 4.53e+00 g/l ALOGPS melting_point Mp 4-6° logp 1.88 ChemAxon pka_strongest_acidic 9.15 ChemAxon pka_strongest_basic -5.2 ChemAxon iupac 1-(2-hydroxyphenyl)ethan-1-one ChemAxon average_mass 136.1479 ChemAxon mono_mass 136.0524295 ChemAxon smiles CC(=O)C1=CC=CC=C1O ChemAxon formula C8H8O2 ChemAxon inchi InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3 ChemAxon inchikey JECYUBVRTQDVAT-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 38.44 ChemAxon polarizability 13.89 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1798 Specdb::CMs 18075 Specdb::CMs 27992 Specdb::CMs 28268 Specdb::CMs 29163 Specdb::CMs 29864 Specdb::CMs 29912 Specdb::CMs 31828 Specdb::CMs 31829 Specdb::CMs 42850 Specdb::CMs 101166 Specdb::CMs 101167 Specdb::CMs 101168 Specdb::CMs 101169 Specdb::CMs 101170 Specdb::CMs 101171 Specdb::CMs 101172 Specdb::CMs 135121 Specdb::CMs 142855 Specdb::MsIr 5542 Specdb::MsIr 5543 Specdb::MsIr 5544 Specdb::MsMs 306085 Specdb::MsMs 306086 Specdb::MsMs 306087 Specdb::MsMs 349621 Specdb::MsMs 349622 Specdb::MsMs 349623 Specdb::MsMs 2739931 Specdb::MsMs 2739932 Specdb::MsMs 2739933 Specdb::MsMs 2938785 Specdb::MsMs 2938786 Specdb::MsMs 2938787 Specdb::NmrOneD 3813 Specdb::NmrOneD 4078 Specdb::NmrOneD 113918 Specdb::NmrOneD 113919 Specdb::NmrOneD 113920 Specdb::NmrOneD 113921 Specdb::NmrOneD 113922 Specdb::NmrOneD 113923 Specdb::NmrOneD 113924 Specdb::NmrOneD 113925 Specdb::NmrOneD 113926 Specdb::NmrOneD 113927 Specdb::NmrOneD 113928 Specdb::NmrOneD 113929 Specdb::NmrOneD 113930 Specdb::NmrOneD 113931 Specdb::NmrOneD 113932 Specdb::NmrOneD 113933 Specdb::NmrOneD 113934 Specdb::NmrOneD 113935 Specdb::NmrOneD 113936 Specdb::NmrOneD 113937 HMDB32568 #<Reference:0x000055ce3236c850> Alcoholic beverages Unknown generic Arabica coffee Type 1 specific Coffea arabica 13443 Black tea Type 1 Chinese cinnamon Type 1 specific Cinnamomum aromaticum 119260 Cocoa and cocoa products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 Coffee and coffee products Unknown generic Garden tomato Type 1 specific Solanum lycopersicum 4081 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Robusta coffee Type 1 specific Coffea canephora 49390 Tea Type 1 specific Camellia sinensis 4442 hawthorn hawthorne herbal honey phenolic sweet tobacco