1.0 2010-04-08 22:05:19 UTC 2025-11-18 22:36:23 UTC FDB002295 Linalyl benzoate Found in ylang-ylang and tuberose essential oils and mushrooms. It is used in perfumery and food flavouring. 1, 6-Octadien-3-ol, 3,7-dimethyl-, benzoate 1,5-Dimethyl-1-vinyl-4-hexen-1-yl benzoate 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-benzoate 1,6-Octadien-3-ol, 3,7-dimethyl-, benzoate 3,7-Dimethyl-1, 6-octadien-3-yl benzoate 3,7-Dimethyl-1,6-octadien-3-yl benzoate 4-Hexen-1-ol, 1,5-dimethyl-1-vinyl-, benzoate Benzoic acid linalool ester Benzoic acid, linalyl ester FEMA 2638 Linalol benzoate Linalool, benzoate Linalyl benzoate C17H22O2 258.3554 258.161979948 3,7-dimethylocta-1,6-dien-3-yl benzoate 3,7-dimethylocta-1,6-dien-3-yl benzoate 126-64-7 CC(C)=CCCC(C)(OC(=O)C1=CC=CC=C1)C=C InChI=1S/C17H22O2/c1-5-17(4,13-9-10-14(2)3)19-16(18)15-11-7-6-8-12-15/h5-8,10-12H,1,9,13H2,2-4H3 BTJXBZZBBNNTOV-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 Benzoic acid esters Benzoyl derivatives Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Organooxygen compounds Aromatic homomonocyclic compound Aromatic monoterpenoid Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound Liquid logp 5.18 ALOGPS logs -4.87 ALOGPS solubility 3.45e-03 g/l ALOGPS logp 5.14 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac 3,7-dimethylocta-1,6-dien-3-yl benzoate ChemAxon average_mass 258.3554 ChemAxon mono_mass 258.161979948 ChemAxon smiles CC(C)=CCCC(C)(OC(=O)C1=CC=CC=C1)C=C ChemAxon formula C17H22O2 ChemAxon inchi InChI=1S/C17H22O2/c1-5-17(4,13-9-10-14(2)3)19-16(18)15-11-7-6-8-12-15/h5-8,10-12H,1,9,13H2,2-4H3 ChemAxon inchikey BTJXBZZBBNNTOV-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 80.03 ChemAxon polarizability 29.82 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16135 Specdb::CMs 130363 Specdb::CMs 138097 Specdb::MsMs 10040 Specdb::MsMs 10041 Specdb::MsMs 10042 Specdb::MsMs 16712 Specdb::MsMs 16713 Specdb::MsMs 16714 Specdb::MsMs 2732706 Specdb::MsMs 2732707 Specdb::MsMs 2732708 Specdb::MsMs 2976764 Specdb::MsMs 2976765 Specdb::MsMs 2976766 HMDB30431 #<Reference:0x000055ce300ae368> Common mushroom Type 1 specific Agaricus bisporus 5341 Herbs and Spices Unknown generic Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322 bergamot broom gardenia genet heather lily tuberose