1.0 2010-04-08 22:07:59 UTC 2015-07-20 22:20:12 UTC FDB008246 Allyl phenoxyacetate Flavouring ingredient 2-Propenyl phenoxyacetate Acetate p.a Acetate p.a. Acetate pa Acetic acid, 2-phenoxy-, 2-propen-1-yl ester Acetic acid, phenoxy-, 2-propenyl ester Acetic acid, phenoxy-, allyl ester Allyl phenoxyacetate FEMA 2038 C11H12O3 192.2112 192.07864425 prop-2-en-1-yl 2-phenoxyacetate allyl phenoxyacetate 7493-74-5 C=CCOC(=O)COC1=CC=CC=C1 InChI=1S/C11H12O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2-7H,1,8-9H2 VUFZVGQUAVDKMC-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 acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Phenol ethers Phenoxy compounds Alkyl aryl ether Aromatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Ether Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound Phenoxyacetate logp 2.15 ALOGPS logs -2.43 ALOGPS solubility 7.18e-01 g/l ALOGPS logp 2.17 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac prop-2-en-1-yl 2-phenoxyacetate ChemAxon average_mass 192.2112 ChemAxon mono_mass 192.07864425 ChemAxon smiles C=CCOC(=O)COC1=CC=CC=C1 ChemAxon formula C11H12O3 ChemAxon inchi InChI=1S/C11H12O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2-7H,1,8-9H2 ChemAxon inchikey VUFZVGQUAVDKMC-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 52.54 ChemAxon polarizability 20.13 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22751 Specdb::CMs 27962 Specdb::CMs 29148 Specdb::CMs 100889 Specdb::CMs 100890 Specdb::CMs 162514 Specdb::MsIr 4728 Specdb::MsIr 4729 Specdb::MsMs 101604 Specdb::MsMs 101605 Specdb::MsMs 101606 Specdb::MsMs 167247 Specdb::MsMs 167248 Specdb::MsMs 167249 Specdb::MsMs 2676193 Specdb::MsMs 2676194 Specdb::MsMs 2676195 Specdb::MsMs 3029186 Specdb::MsMs 3029187 Specdb::MsMs 3029188 HMDB31610 #<Reference:0x000055ce32099150> chamomile cocoa fresh honey pineapple sweet