1.0 2010-04-08 22:05:38 UTC 2019-11-26 02:58:25 UTC FDB003057 8-Hydroxy-14,16-hentriacontanedione Isolated from leaf-surface wax of wheat Triticum compactum variety Little Club. 8-Hydroxy-14,16-hentriacontanedione is found in wheat and cereals and cereal products. 4-((benzylsulfonyl)amino)benzoic acid 4-[[(Phenylmethyl)sulfonyl]amino]-benzoic acid 4'-Carboxyphenylmethanesulfonanilide Benzoic acid, 4-(((phenylmethyl)sulfonyl)amino)- (9CI) Benzoic acid, 4-[[(phenylmethyl)sulfonyl]amino]- Benzoic acid, p-alpha-(toluenesulfonamido)- Benzoic acid, p-alpha-toluenesulfonamido- (8CI) Carinamid Carinamide Caronamid Caronamide N-benzylsulfonyl-p-aminobenzoic acid P-(benzylsulfamido)benzoic acid P-(benzylsulfamyl)benzoic acid P-(benzylsulfonamido)benzoic acid P-alpha-(Toluenesulfonamido)-benzoic acid P-alpha-(toluenesulfonamido)benzoic acid Retentin Staticin C31H60O3 480.8063 480.454245786 8-hydroxyhentriacontane-14,16-dione 8-hydroxyhentriacontane-14,16-dione 10368-07-7 CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCC(O)CCCCCCC InChI=1S/C31H60O3/c1-3-5-7-9-10-11-12-13-14-15-16-18-21-26-30(33)28-31(34)27-23-19-22-25-29(32)24-20-17-8-6-4-2/h29,32H,3-28H2,1-2H3 RQAJGXOXTHUITK-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Fatty alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic acyclic compounds Beta-diketones Hydrocarbon derivatives Ketones Organic oxides Secondary alcohols 1,3-dicarbonyl compound 1,3-diketone Alcohol Aliphatic acyclic compound Carbonyl group Fatty alcohol Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol logp 9.27 ALOGPS logs -7.18 ALOGPS solubility 3.20e-05 g/l ALOGPS melting_point Mp 69.5-70.5° logp 11.01 ChemAxon pka_strongest_acidic 7.81 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac 8-hydroxyhentriacontane-14,16-dione ChemAxon average_mass 480.8063 ChemAxon mono_mass 480.454245786 ChemAxon smiles CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCC(O)CCCCCCC ChemAxon formula C31H60O3 ChemAxon inchi InChI=1S/C31H60O3/c1-3-5-7-9-10-11-12-13-14-15-16-18-21-26-30(33)28-31(34)27-23-19-22-25-29(32)24-20-17-8-6-4-2/h29,32H,3-28H2,1-2H3 ChemAxon inchikey RQAJGXOXTHUITK-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 147.44 ChemAxon polarizability 64.81 ChemAxon rotatable_bond_count 28 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21195 Specdb::CMs 42330 Specdb::CMs 172006 Specdb::MsMs 8792 Specdb::MsMs 8793 Specdb::MsMs 8794 Specdb::MsMs 15464 Specdb::MsMs 15465 Specdb::MsMs 15466 Specdb::MsMs 2668378 Specdb::MsMs 2668379 Specdb::MsMs 2668380 Specdb::MsMs 3013127 Specdb::MsMs 3013128 Specdb::MsMs 3013129 HMDB31056 #<Reference:0x000055ce31ef12f8> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Wheat Type 1 specific Triticum 4564