1.0 2010-04-08 22:09:10 UTC 2019-11-26 03:03:43 UTC FDB010529 2'-Hydroxy-5'-methylacetophenone Flavouring for coffee. 2'-Hydroxy-5'-methylacetophenone is found in coffee and coffee products. 1-(2-Hydroxy-5-methylphenyl)-ethanone 1-(2-Hydroxy-5-methylphenyl)ethanone 1-(2-Hydroxy-5-methylphenyl)ethanone, 9CI 1-Hydroxy-2-acetyl-4-methylbenzene 2-Acetyl-4-methylphenol 2-Acetyl-p-cresol 2-Hydroxy-5-methylacetophenone 2'-Hydroxy-5'-methyl-acetophenone Acetophenone, 2'-hydroxy-5'-methyl- Ethanone, 1-(2-hydroxy-5-methylphenyl)- Methyl 6-hydroxy-m-tolyl ketone O-acetyl-p-cresol C9H10O2 150.1745 150.068079564 1-(2-hydroxy-5-methylphenyl)ethan-1-one 2-acetyl-4-methylphenol 1450-72-2 CC(=O)C1=C(O)C=CC(C)=C1 InChI=1S/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H3 YNPDFBFVMJNGKZ-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 Acetophenones Aryl alkyl ketones Benzoyl derivatives Hydrocarbon derivatives Organic oxides Para cresols Toluenes Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid Acetophenone Alkyl-phenylketone Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Hydrocarbon derivative Monocyclic benzene moiety Organic oxide P-cresol Phenol Toluene Vinylogous acid logp 1.91 ALOGPS logs -1.78 ALOGPS solubility 2.48e+00 g/l ALOGPS melting_point Mp 50° logp 2.39 ChemAxon pka_strongest_acidic 10.5 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 1-(2-hydroxy-5-methylphenyl)ethan-1-one ChemAxon average_mass 150.1745 ChemAxon mono_mass 150.068079564 ChemAxon smiles CC(=O)C1=C(O)C=CC(C)=C1 ChemAxon formula C9H10O2 ChemAxon inchi InChI=1S/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H3 ChemAxon inchikey YNPDFBFVMJNGKZ-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 43.48 ChemAxon polarizability 16.03 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5588 Specdb::MsIr 5589 Specdb::MsIr 5590 Specdb::CMs 25273 Specdb::CMs 42867 Specdb::CMs 148903 Specdb::NmrOneD 114038 Specdb::NmrOneD 114039 Specdb::NmrOneD 114040 Specdb::NmrOneD 114041 Specdb::NmrOneD 114042 Specdb::NmrOneD 114043 Specdb::NmrOneD 114044 Specdb::NmrOneD 114045 Specdb::NmrOneD 114046 Specdb::NmrOneD 114047 Specdb::NmrOneD 114048 Specdb::NmrOneD 114049 Specdb::NmrOneD 114050 Specdb::NmrOneD 114051 Specdb::NmrOneD 114052 Specdb::NmrOneD 114053 Specdb::NmrOneD 114054 Specdb::NmrOneD 114055 Specdb::NmrOneD 114056 Specdb::NmrOneD 114057 Specdb::MsMs 90918 Specdb::MsMs 90919 Specdb::MsMs 90920 Specdb::MsMs 154197 Specdb::MsMs 154198 Specdb::MsMs 154199 Specdb::MsMs 2693060 Specdb::MsMs 2693061 Specdb::MsMs 2693062 Specdb::MsMs 2986018 Specdb::MsMs 2986019 Specdb::MsMs 2986020 HMDB32592 #<Reference:0x00007f62707fbd48> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390 floral heavy herbal sweet