1.0 2010-04-08 22:12:18 UTC 2015-07-20 23:27:11 UTC FDB016223 Linalyl phenylacetate Flavouring ingredient 1-Ethenyl-1,5-dimethyl-4-hexenyl benzeneacetate 1,5-Dimethyl-1-vinyl-4-hexenyl phenylacetate 3,7-Dimethyl-1,6-octadien-3-yl phenylacetate Acetic acid, phenyl-, 1,5-dimethyl-1-vinyl-4-hexenyl ester Benzeneacetic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester Benzeneacetic acid, 1,5-dimethyl-1-ethenyl-4-hexenyl ester FEMA 3501 Linalyl alpha-toluate Linalyl phenylacetate C18H24O2 272.382 272.177630012 3,7-dimethylocta-1,6-dien-3-yl 2-phenylacetate 3,7-dimethylocta-1,6-dien-3-yl 2-phenylacetate 7143-69-3 CC(C)=CCCC(C)(OC(=O)CC1=CC=CC=C1)C=C InChI=1S/C18H24O2/c1-5-18(4,13-9-10-15(2)3)20-17(19)14-16-11-7-6-8-12-16/h5-8,10-12H,1,9,13-14H2,2-4H3 RROUXOOIXJRTOM-UHFFFAOYSA-N belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. Aromatic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aromatic homomonocyclic compounds Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Aromatic homomonocyclic compound Aromatic monoterpenoid Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound logp 5.30 ALOGPS logs -5.03 ALOGPS solubility 2.52e-03 g/l ALOGPS logp 4.92 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 3,7-dimethylocta-1,6-dien-3-yl 2-phenylacetate ChemAxon average_mass 272.382 ChemAxon mono_mass 272.177630012 ChemAxon smiles CC(C)=CCCC(C)(OC(=O)CC1=CC=CC=C1)C=C ChemAxon formula C18H24O2 ChemAxon inchi InChI=1S/C18H24O2/c1-5-18(4,13-9-10-15(2)3)20-17(19)14-16-11-7-6-8-12-16/h5-8,10-12H,1,9,13-14H2,2-4H3 ChemAxon inchikey RROUXOOIXJRTOM-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 84.08 ChemAxon polarizability 31.94 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12648 Specdb::CMs 135386 Specdb::CMs 143120 Specdb::MsMs 90540 Specdb::MsMs 90541 Specdb::MsMs 90542 Specdb::MsMs 153717 Specdb::MsMs 153718 Specdb::MsMs 153719 Specdb::MsMs 2447577 Specdb::MsMs 2447578 Specdb::MsMs 2447579 Specdb::MsMs 2518896 Specdb::MsMs 2518897 Specdb::MsMs 2518898 HMDB37216 #<Reference:0x000055ce326de448> honey neroli rose sick sweet