1.02010-04-08 22:10:23 UTC2018-05-29 01:01:18 UTCFDB012830(±)-BenzoinFlavouring ingredient
Benzoin is an organic compound with the formula PhCH(OH)C(O)Ph. It is a hydroxy ketone attached to two phenyl groups. It appears as off-white crystals, with a light camphor-like odor. Benzoin is synthesized from benzaldehyde in the benzoin condensation. It is chiral and it exists as a pair of enantiomers: (R)-benzoin and (S)-benzoin.2-Hydroxy-2-phenyl-acetophenonealpha -Hydroxy-alpha -phenylacetophenonealpha -Hydroxybenzyl phenyl ketonePhenyl-alpha -hydroxybenzyl ketoneC14H12O2212.2439212.0837296282-hydroxy-1,2-diphenylethan-1-one(+-)-benzoin119-53-9OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15HISAOCJYIOMOJEB-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoins. These are organic compounds containing a 1,2-hydroxy ketone attached to two phenyl groups.BenzoinsOrganic compoundsPhenylpropanoids and polyketidesStilbenesBenzoinsAromatic homomonocyclic compoundsAcyloinsAlkyl-phenylketonesAlpha-hydroxy ketonesAromatic alcoholsAryl alkyl ketonesBenzoyl derivativesHydrocarbon derivativesOrganic oxidesSecondary alcoholsAcyloinAlcoholAlkyl-phenylketoneAlpha-hydroxy ketoneAromatic alcoholAromatic homomonocyclic compoundAryl alkyl ketoneAryl ketoneBenzenoidBenzoinBenzoylHydrocarbon derivativeKetoneMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundPhenylketoneSecondary alcoholbenzoinbenzoinslogp2.64logs-2.58solubility5.61e-01 g/lmelting_pointMp 133-134°logp2.65pka_strongest_acidic12.62pka_strongest_basic-3.8iupac2-hydroxy-1,2-diphenylethan-1-oneaverage_mass212.2439mono_mass212.083729628smilesOC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1formulaC14H12O2inchiInChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15HinchikeyISAOCJYIOMOJEB-UHFFFAOYSA-Npolar_surface_area37.3refractivity62.52polarizability22.45rotatable_bond_count3acceptor_count2donor_count1physiological_charge0formal_charge0Specdb::EiMs674Specdb::CMs2512Specdb::CMs28822Specdb::CMs29592Specdb::CMs31759Specdb::CMs31760Specdb::CMs42723Specdb::CMs101007Specdb::CMs101008Specdb::CMs101009Specdb::CMs101010Specdb::CMs159244Specdb::NmrOneD267868Specdb::NmrOneD267869Specdb::NmrOneD267870Specdb::NmrOneD267871Specdb::NmrOneD267872Specdb::NmrOneD267873Specdb::NmrOneD267874Specdb::NmrOneD267875Specdb::NmrOneD267876Specdb::NmrOneD267877Specdb::NmrOneD267878Specdb::NmrOneD267879Specdb::NmrOneD267880Specdb::NmrOneD267881Specdb::NmrOneD267882Specdb::NmrOneD267883Specdb::NmrOneD267884Specdb::NmrOneD267885Specdb::NmrOneD267886Specdb::NmrOneD267887Specdb::MsMs65859Specdb::MsMs65860Specdb::MsMs65861Specdb::MsMs123306Specdb::MsMs123307Specdb::MsMs123308Specdb::MsMs449675Specdb::MsMs449676Specdb::MsMs2783482Specdb::MsMs2783483Specdb::MsMs2783484Specdb::MsMs2921953Specdb::MsMs2921954Specdb::MsMs2921955HMDB32039#<Reference:0x0000555673137080>