1.0 2010-04-08 22:12:17 UTC 2015-07-20 23:26:52 UTC FDB016193 Rhodinyl phenylacetate Flavouring ingredient (S)-3,7-Dimethyl-7-octenyl benzeneacetate (S)-3,7-Dimethyloct-7-enyl phenylacetate 3,7-Dimethyl-7-octen-1-yl phenylacetate 3,7-Dimethyl-7-octenyl benzeneacetate, (S)- 3,7-Dimethyl-7-octenyl ester(S)-benzeneacetic acid 3,7-Dimethyl-7-octenyl phenylacetate Acetic acid, phenyl-, 3,7-dimethyl-7-octenyl ester Acetic acid, phenyl-, 3,7-dimethyl-7-octenyl ester (8CI) Benzeneacetic acid, (3S)-3,7-dimethyl-7-octen-1-yl ester Benzeneacetic acid, (3S)-3,7-dimethyl-7-octenyl ester Benzeneacetic acid, 3,7-dimethyl-7-octenyl ester, (S)- FEMA 2985 Phenylacetic acid 3,7-dimethyl-7-octenyl ester C18H26O2 274.3978 274.193280076 3,7-dimethyloct-7-en-1-yl 2-phenylacetate 3,7-dimethyloct-7-en-1-yl 2-phenylacetate 10486-14-3 CC(CCCC(C)=C)CCOC(=O)CC1=CC=CC=C1 InChI=1S/C18H26O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,10-11,16H,1,7-9,12-14H2,2-3H3 SKZDJVXLRPCFQC-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Fatty alcohol esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters Aromatic homomonocyclic compounds Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty alcohol ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound logp 4.99 ALOGPS logs -5.32 ALOGPS solubility 1.33e-03 g/l ALOGPS logp 5.09 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 3,7-dimethyloct-7-en-1-yl 2-phenylacetate ChemAxon average_mass 274.3978 ChemAxon mono_mass 274.193280076 ChemAxon smiles CC(CCCC(C)=C)CCOC(=O)CC1=CC=CC=C1 ChemAxon formula C18H26O2 ChemAxon inchi InChI=1S/C18H26O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,10-11,16H,1,7-9,12-14H2,2-3H3 ChemAxon inchikey SKZDJVXLRPCFQC-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 83.29 ChemAxon polarizability 33.46 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19647 Specdb::CMs 146462 Specdb::MsMs 309697 Specdb::MsMs 309698 Specdb::MsMs 309699 Specdb::MsMs 354202 Specdb::MsMs 354203 Specdb::MsMs 354204 Specdb::MsMs 2416714 Specdb::MsMs 2416715 Specdb::MsMs 2416716 Specdb::MsMs 2548972 Specdb::MsMs 2548973 Specdb::MsMs 2548974 HMDB37191 #<Reference:0x000055ce328f8968> floral geranium honey powdery red rose waxy