1.0 2010-04-08 22:12:17 UTC 2018-05-29 01:25:00 UTC FDB016173 2,4,5-Trihydroxybutyrophenone Antioxidant, especies for fats and oils. Potential food packaging migration residue 1-(2,4,5-Trihydroxyphenyl)-1-butanone 1-(2,4,5-trihydroxyphenyl)butan-1-one 2,4,5-Trihydroxybutyrophenone 2',4',5'-Trihydroxy-butyrophenone 2',4',5'-Trihydroxybutyrophenone 2',4',5'-Trihydroxybutyrophenone, 8CI 5-Butanoyl-1,2,4-benzeneetriol THBP C10H12O4 196.1999 196.073558872 1-(2,4,5-trihydroxyphenyl)butan-1-one 2,4,5-trihydroxybutyrophenone 1421-63-2 CCCC(=O)C1=CC(O)=C(O)C=C1O InChI=1S/C10H12O4/c1-2-3-7(11)6-4-9(13)10(14)5-8(6)12/h4-5,12-14H,2-3H2,1H3 SRUQARLMFOLRDN-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 Aryl alkyl ketones Benzoyl derivatives Butyrophenones Hydrocarbon derivatives Hydroxyquinols and derivatives Organic oxides Polyols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid Alkyl-phenylketone Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Butyrophenone Hydrocarbon derivative Hydroxyquinol derivative Monocyclic benzene moiety Organic oxide Phenol Polyol Vinylogous acid logp 1.82 ALOGPS logs -1.92 ALOGPS solubility 2.34e+00 g/l ALOGPS melting_point Mp 151-153° logp 2.42 ChemAxon pka_strongest_acidic 7.98 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 1-(2,4,5-trihydroxyphenyl)butan-1-one ChemAxon average_mass 196.1999 ChemAxon mono_mass 196.073558872 ChemAxon smiles CCCC(=O)C1=CC(O)=C(O)C=C1O ChemAxon formula C10H12O4 ChemAxon inchi InChI=1S/C10H12O4/c1-2-3-7(11)6-4-9(13)10(14)5-8(6)12/h4-5,12-14H,2-3H2,1H3 ChemAxon inchikey SRUQARLMFOLRDN-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 51.63 ChemAxon polarizability 19.72 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7447 Specdb::MsIr 7448 Specdb::MsIr 7449 Specdb::CMs 10936 Specdb::CMs 45254 Specdb::CMs 168742 Specdb::NmrOneD 139310 Specdb::NmrOneD 139311 Specdb::NmrOneD 139312 Specdb::NmrOneD 139313 Specdb::NmrOneD 139314 Specdb::NmrOneD 139315 Specdb::NmrOneD 139316 Specdb::NmrOneD 139317 Specdb::NmrOneD 139318 Specdb::NmrOneD 139319 Specdb::NmrOneD 139320 Specdb::NmrOneD 139321 Specdb::NmrOneD 139322 Specdb::NmrOneD 139323 Specdb::NmrOneD 139324 Specdb::NmrOneD 139325 Specdb::NmrOneD 139326 Specdb::NmrOneD 139327 Specdb::NmrOneD 139328 Specdb::NmrOneD 139329 Specdb::MsMs 88419 Specdb::MsMs 88420 Specdb::MsMs 88421 Specdb::MsMs 151146 Specdb::MsMs 151147 Specdb::MsMs 151148 Specdb::MsMs 2226534 Specdb::MsMs 2228159 Specdb::MsMs 2228982 Specdb::MsMs 2230480 Specdb::MsMs 2231280 Specdb::MsMs 2232902 Specdb::MsMs 2233632 Specdb::MsMs 2234015 Specdb::MsMs 2234904 Specdb::MsMs 2235332 Specdb::MsMs 2254546 Specdb::MsMs 2256005 Specdb::MsMs 2330748 Specdb::MsMs 2330749 Specdb::MsMs 2330750 Specdb::MsMs 2631047 Specdb::MsMs 2631048 Specdb::MsMs 2631049 HMDB37177 #<Reference:0x000055ce327e1598>