1.02010-04-08 22:05:19 UTC2019-11-26 02:57:18 UTCFDB002295Linalyl benzoateFound 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-, benzoate1,5-Dimethyl-1-vinyl-4-hexen-1-yl benzoate1,6-Octadien-3-ol, 3,7-dimethyl-, 3-benzoate1,6-Octadien-3-ol, 3,7-dimethyl-, benzoate3,7-Dimethyl-1, 6-octadien-3-yl benzoate3,7-Dimethyl-1,6-octadien-3-yl benzoate4-Hexen-1-ol, 1,5-dimethyl-1-vinyl-, benzoateBenzoic acid linalool esterBenzoic acid, linalyl esterFEMA 2638Linalol benzoateLinalool, benzoateLinalyl benzoateC17H22O2258.3554258.1619799483,7-dimethylocta-1,6-dien-3-yl benzoate3,7-dimethylocta-1,6-dien-3-yl benzoate126-64-7CC(C)=CCCC(C)(OC(=O)C1=CC=CC=C1)C=CInChI=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,1,9,13H2,2-4H3BTJXBZZBBNNTOV-UHFFFAOYSA-N belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.Aromatic monoterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoidsAromatic homomonocyclic compoundsBenzoic acid estersBenzoyl derivativesCarboxylic acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesMonocyclic monoterpenoidsOrganic oxidesOrganooxygen compoundsAromatic homomonocyclic compoundAromatic monoterpenoidBenzenoidBenzoate esterBenzoic acid or derivativesBenzoylCarboxylic acid derivativeCarboxylic acid esterHydrocarbon derivativeMonocarboxylic acid or derivativesMonocyclic benzene moietyMonocyclic monoterpenoidOrganic oxideOrganic oxygen compoundOrganooxygen compoundLiquidlogp5.18logs-4.87solubility3.45e-03 g/llogp5.14pka_strongest_basic-6.9iupac3,7-dimethylocta-1,6-dien-3-yl benzoateaverage_mass258.3554mono_mass258.161979948smilesCC(C)=CCCC(C)(OC(=O)C1=CC=CC=C1)C=CformulaC17H22O2inchiInChI=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,1,9,13H2,2-4H3inchikeyBTJXBZZBBNNTOV-UHFFFAOYSA-Npolar_surface_area26.3refractivity80.03polarizability29.82rotatable_bond_count7acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs16135Specdb::CMs130363Specdb::CMs138097Specdb::MsMs10040Specdb::MsMs10041Specdb::MsMs10042Specdb::MsMs16712Specdb::MsMs16713Specdb::MsMs16714Specdb::MsMs2732706Specdb::MsMs2732707Specdb::MsMs2732708Specdb::MsMs2976764Specdb::MsMs2976765Specdb::MsMs2976766HMDB30431#<Reference:0x0000555675bcfab8>Common mushroomType 1specificAgaricus bisporus5341Herbs and SpicesUnknowngenericMushroomsUnknowngenericOyster mushroomType 1specificPleurotus ostreatus5322bergamotbroomgardeniagenetheatherlilytuberose