1.02010-04-08 22:07:58 UTC2020-09-17 15:35:03 UTCFDB0081882-Methyl-1-phenyl-2-propanyl acetateDimethylbenzylcarbinyl acetate belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. Dimethylbenzylcarbinyl acetate appears as a white to pale yellow crystalline solid. It is a sweet, berry, and floral tasting compound and it is used as a flavouring agent. It also has a floral, jasmine and rose-like odour and it is used in perfumery.α,α-Dimethylphenethyl acetateα,α-Dimethylphenethyl alcohol, acetate1,1-Dimethyl-2-phenylethyl acetate2-Benzyl-2-propyl acetatealpha, alpha-Dimethylphenethyl alcohol, acetatealpha,alpha-Dimethylbenzeneethyl acetatealpha,alpha-Dimethylphenethyl acetatealpha,alpha-Dimethylphenethyl alcohol, acetateBenzeneethanol, α,α-dimethyl-, acetateBenzeneethanol, alpha,alpha-dimethyl-, 1-acetateBenzeneethanol, alpha,alpha-dimethyl-, acetateBenzyl dimethyl carbinyl acetateBenzyldimethyl carbinyl acetateBenzyldimethylcarbinol acetateBenzyldimethylcarbinyl acetateBenzylpropyl acetateDimethyl benzyl carbinyl acetateDimethylbenzyl carbinol acetateDimethylbenzylcarbinol acetateDimethylbenzylcarbinyl acetateDmbcaFEMA 2392Phenethyl alcohol, α,α-dimethyl-, acetatePhenethyl alcohol, alpha,alpha-dimethyl-, acetateC12H16O2192.2542192.1150297562-methyl-1-phenylpropan-2-yl acetate2-methyl-1-phenylpropan-2-yl acetate151-05-3CC(=O)OC(C)(C)CC1=CC=CC=C1InChI=1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3FLUWAIIVLCVEKF-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.PhenylpropanesOrganic compoundsBenzenoidsBenzene and substituted derivativesPhenylpropanesAromatic homomonocyclic compoundsCarbonyl compoundsCarboxylic acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAromatic homomonocyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundPhenylpropanelogp3.40logs-3.72solubility3.64e-02 g/lmelting_pointMp 30°logp2.63pka_strongest_basic-7iupac2-methyl-1-phenylpropan-2-yl acetateaverage_mass192.2542mono_mass192.115029756smilesCC(=O)OC(C)(C)CC1=CC=CC=C1formulaC12H16O2inchiInChI=1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3inchikeyFLUWAIIVLCVEKF-UHFFFAOYSA-Npolar_surface_area26.3refractivity55.84polarizability21.63rotatable_bond_count4acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr4657Specdb::MsIr4658Specdb::CMs20027Specdb::CMs29151Specdb::CMs100872Specdb::CMs131587Specdb::CMs139321Specdb::MsMs96522Specdb::MsMs96523Specdb::MsMs96524Specdb::MsMs161013Specdb::MsMs161014Specdb::MsMs161015Specdb::MsMs2792105Specdb::MsMs2792106Specdb::MsMs2792107Specdb::MsMs2917181Specdb::MsMs2917182Specdb::MsMs2917183HMDB31571#<Reference:0x000055567645b5b0>berryfloralfruitygreenjasminpearpowderyrosesweet