1.02010-04-08 22:10:49 UTC2019-11-26 03:08:42 UTCFDB0136123-Methylbutyl phenylacetateFlavouring ingredient. 3-Methylbutyl phenylacetate is found in peppermint.3-Methylbutyl benzeneacetate3-Methylbutyl phenylacetateAcetic acid, phenyl-, isopentyl esterBenzeneacetic acid, 3-methylbutyl esterFEMA 2081Isoamyl alpha-toluateIsoamyl phenylacetateIsopentyl alcohol, phenylacetateIsopentyl phenylacetateIsopentylphenylacetatePhenylacetic acid isoamyl esterPhenylacetic acid, 3-methylbutyl esterPhenylacetic acid, isopentyl esterC13H18O2206.2808206.130679823-methylbutyl 2-phenylacetate3-methylbutyl 2-phenylacetate102-19-2CC(C)CCOC(=O)CC1=CC=CC=C1InChI=1S/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3QWBQBUWZZBUFHN-UHFFFAOYSA-N belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.Benzene and substituted derivativesOrganic compoundsBenzenoidsBenzene and substituted derivativesAromatic homomonocyclic compoundsCarbonyl compoundsCarboxylic acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAromatic homomonocyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterHydrocarbon derivativeMonocarboxylic acid or derivativesMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundlogp3.83logs-4.03solubility1.94e-02 g/llogp3.37pka_strongest_basic-7.1iupac3-methylbutyl 2-phenylacetateaverage_mass206.2808mono_mass206.13067982smilesCC(C)CCOC(=O)CC1=CC=CC=C1formulaC13H18O2inchiInChI=1S/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3inchikeyQWBQBUWZZBUFHN-UHFFFAOYSA-Npolar_surface_area26.3refractivity60.56polarizability24.05rotatable_bond_count6acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr6768Specdb::MsIr6769Specdb::CMs2968Specdb::CMs27861Specdb::CMs27895Specdb::CMs28202Specdb::CMs29154Specdb::CMs29534Specdb::CMs101672Specdb::CMs101673Specdb::CMs101674Specdb::CMs101675Specdb::CMs101676Specdb::CMs158331Specdb::MsMs56538Specdb::MsMs56539Specdb::MsMs56540Specdb::MsMs111978Specdb::MsMs111979Specdb::MsMs111980Specdb::MsMs2447343Specdb::MsMs2447344Specdb::MsMs2447345Specdb::MsMs2518686Specdb::MsMs2518687Specdb::MsMs2518688HMDB35008#<Reference:0x00005556745fe888>PeppermintType 1specificMentha X piperita342560.02750.02750.0275mg/100 ganimalbalsamcastoreumchocolatecocoahoneyjasminemangosweet