1.0 2010-04-08 22:12:18 UTC 2015-07-20 23:27:05 UTC FDB016217 alpha-Santalyl phenylacetate Mixts. with b-santalyl phenylacetate are used as flavouring ingredients a-Santalyl phenylacetate C23H30O2 338.4831 338.224580204 (2Z)-5-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}-2-methylpent-2-en-1-yl 2-phenylacetate (2Z)-5-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}-2-methylpent-2-en-1-yl 2-phenylacetate C\C(COC(=O)CC1=CC=CC=C1)=C\CCC1(C)C2CC3C(C2)C13C InChI=1S/C23H30O2/c1-16(15-25-21(24)12-17-9-5-4-6-10-17)8-7-11-22(2)18-13-19-20(14-18)23(19,22)3/h4-6,8-10,18-20H,7,11-15H2,1-3H3/b16-8- ISBNMFLPVWHCIH-PXNMLYILSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aromatic homopolycyclic compounds Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aromatic homopolycyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Santalane sesquiterpenoid Sesquiterpenoid logp 5.54 ALOGPS logs -6.45 ALOGPS solubility 1.19e-04 g/l ALOGPS logp 5.1 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac (2Z)-5-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}-2-methylpent-2-en-1-yl 2-phenylacetate ChemAxon average_mass 338.4831 ChemAxon mono_mass 338.224580204 ChemAxon smiles C\C(COC(=O)CC1=CC=CC=C1)=C\CCC1(C)C2CC3C(C2)C13C ChemAxon formula C23H30O2 ChemAxon inchi InChI=1S/C23H30O2/c1-16(15-25-21(24)12-17-9-5-4-6-10-17)8-7-11-22(2)18-13-19-20(14-18)23(19,22)3/h4-6,8-10,18-20H,7,11-15H2,1-3H3/b16-8- ChemAxon inchikey ISBNMFLPVWHCIH-PXNMLYILSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 101.34 ChemAxon polarizability 39.72 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16215 Specdb::CMs 150775 Specdb::MsMs 108963 Specdb::MsMs 108964 Specdb::MsMs 108965 Specdb::MsMs 176301 Specdb::MsMs 176302 Specdb::MsMs 176303 Specdb::MsMs 2705180 Specdb::MsMs 2705181 Specdb::MsMs 2705182 Specdb::MsMs 3002980 Specdb::MsMs 3002981 Specdb::MsMs 3002982 HMDB37210 #<Reference:0x000055ce32550fe0>