1.0 2010-04-08 22:07:59 UTC 2019-11-26 03:02:20 UTC FDB008245 Phenoxyacetic acid Phenoxyacetic acid is a flavouring ingredient. It is found in cocoa and cocoa products. 2-Phenoxy-acetic acid Acetic acid, 2-phenoxy- Acetic acid, phenoxy- FEMA 2872 Glycol acid phenyl ether Glycolic acid phenyl ether Glycolic acid, phenyl ether Glycollic acid phenyl ether O-phenylglycolic acid Phenoxacetate Phenoxacetic acid Phenoxy acetic acid Phenoxy-acetic acid Phenoxyacetate Phenoxyessigsaeure Phenoxyethanoate Phenoxyethanoic acid Phenxoyacetic acid Phenyl ether glycolic acid Phenylglycolic acid, o- POA C8H8O3 152.1473 152.047344122 2-phenoxyacetic acid phenoxyacetic acid 122-59-8 OC(=O)COC1=CC=CC=C1 InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) LCPDWSOZIOUXRV-UHFFFAOYSA-N belongs to the class of organic compounds known as phenoxyacetic acid derivatives. Phenoxyacetic acid derivatives are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative. Phenoxyacetic acid derivatives Organic compounds Benzenoids Benzene and substituted derivatives Phenoxyacetic acid derivatives Aromatic homomonocyclic compounds Alkyl aryl ethers Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Phenol ethers Phenoxy compounds Alkyl aryl ether Aromatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Ether Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound Phenoxyacetate monocarboxylic acid logp 1.48 ALOGPS logs -1.46 ALOGPS solubility 5.24e+00 g/l ALOGPS melting_point Mp 98-99° logp 1.29 ChemAxon pka_strongest_acidic 3.7 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2-phenoxyacetic acid ChemAxon average_mass 152.1473 ChemAxon mono_mass 152.047344122 ChemAxon smiles OC(=O)COC1=CC=CC=C1 ChemAxon formula C8H8O3 ChemAxon inchi InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) ChemAxon inchikey LCPDWSOZIOUXRV-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 38.61 ChemAxon polarizability 14.93 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4725 Specdb::MsIr 4726 Specdb::MsIr 4727 Specdb::CMs 18065 Specdb::CMs 29536 Specdb::CMs 30116 Specdb::CMs 30666 Specdb::CMs 42548 Specdb::CMs 100886 Specdb::CMs 100887 Specdb::CMs 100888 Specdb::CMs 163440 Specdb::MsMs 12026 Specdb::MsMs 12027 Specdb::MsMs 12028 Specdb::MsMs 18698 Specdb::MsMs 18699 Specdb::MsMs 18700 Specdb::MsMs 438384 Specdb::MsMs 438385 Specdb::MsMs 438386 Specdb::MsMs 438387 Specdb::MsMs 438388 Specdb::MsMs 2796989 Specdb::MsMs 2796990 Specdb::MsMs 2796991 Specdb::MsMs 2881562 Specdb::MsMs 2881563 Specdb::MsMs 2881564 Specdb::NmrOneD 164989 Specdb::NmrOneD 164990 Specdb::NmrOneD 164991 Specdb::NmrOneD 164992 Specdb::NmrOneD 164993 Specdb::NmrOneD 164994 Specdb::NmrOneD 164995 Specdb::NmrOneD 164996 Specdb::NmrOneD 164997 Specdb::NmrOneD 164998 Specdb::NmrOneD 164999 Specdb::NmrOneD 165000 Specdb::NmrOneD 165001 Specdb::NmrOneD 165002 Specdb::NmrOneD 165003 Specdb::NmrOneD 165004 Specdb::NmrOneD 165005 Specdb::NmrOneD 165006 Specdb::NmrOneD 165007 Specdb::NmrOneD 165008 HMDB31609 8075 06Y #<Reference:0x000055ce32cdb378> #<Reference:0x000055ce32cdb1c0> Cocoa and cocoa products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 sour sweet