1.02010-04-08 22:05:46 UTC2020-09-17 15:30:03 UTCFDB003367Benzyl acetateBenzyl acetate, also known as benzyl ethanoate, is an organic ester formed from the condensation of benzyl alcohol and acetic acid. Benzyl acetate is a neutral compound with a sweet jasmine-like aroma and a sweet, apple, and apricot taste. Benzyl acetate is found in highest concentration in sweet basils and is detected in figs, fruits, pomes, tea, and alcoholic beverages making benzyl acetate a potential biomarker for the consumption of these foods. Benzyl acetate is used as a flavoring agent to impart jasmine or apple flavors to various cosmetics and personal care products like lotions, hair creams (https://doi.org/10.1016/B978-0-443-06241-4.00013-8).(acetoxymethyl)benzeneα-acetoxytolueneAcetate, benzyl esterAcetate, phenylmethyl esterAcetato de benciloAcetic acid benzyl esterAcetic acid phenylmethyl esterAcetic acid, benzyl esterAcetic acid, phenylmethyl esterAlpha-acetoxytolueneBenzyl acetate + glycine combinationBenzyl ester of acetic acidBenzyl ethanoateBenzyl ethanoic acidBenzylester kyseliny octoveFEMA 2135nchem.167-comp5Phenylmethyl acetatePhenylmethyl ethanoatePhenylmethyl ethanoic acidPlastolin IC9H10O2150.1745150.068079564benzyl acetatebenzyl acetate140-11-4CC(=O)OCC1=CC=CC=C1InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3QUKGYYKBILRGFE-UHFFFAOYSA-N belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.BenzyloxycarbonylsOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzyloxycarbonylsAromatic homomonocyclic compoundsCarbonyl compoundsCarboxylic acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAromatic homomonocyclic compoundBenzyloxycarbonylCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compounda small moleculeacetate esterLiquidlogp2.07logs-2.46solubility5.20e-01 g/lmelting_point-51.3 oClogp1.65pka_strongest_basic-7iupacbenzyl acetateaverage_mass150.1745mono_mass150.068079564smilesCC(=O)OCC1=CC=CC=C1formulaC9H10O2inchiInChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3inchikeyQUKGYYKBILRGFE-UHFFFAOYSA-Npolar_surface_area26.3refractivity42.03polarizability16.03rotatable_bond_count3acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::NmrOneD2239Specdb::NmrOneD2934Specdb::MsIr4336Specdb::MsIr4337Specdb::EiMs822Specdb::CMs25945Specdb::CMs26985Specdb::CMs27811Specdb::CMs28507Specdb::CMs29877Specdb::CMs100707Specdb::CMs100708Specdb::CMs100709Specdb::CMs100710Specdb::CMs166776Specdb::MsMs10730Specdb::MsMs10731Specdb::MsMs10732Specdb::MsMs17402Specdb::MsMs17403Specdb::MsMs17404Specdb::MsMs1470839Specdb::MsMs1470860Specdb::MsMs1471162Specdb::MsMs1471184Specdb::MsMs2228382Specdb::MsMs2231212Specdb::MsMs2232994Specdb::MsMs2233531Specdb::MsMs2235393Specdb::MsMs2324980Specdb::MsMs2324981Specdb::MsMs2324982Specdb::MsMs2609810Specdb::MsMs2609811Specdb::MsMs2609812HMDB3131052051J0Z#<Reference:0x00005556745ed6c8>Alcoholic beveragesUnknowngenericAppleType 1specificMalus pumila283210Black teaType 1BrassicasUnknowngeneric3705Breakfast cerealType 2specificCereals and cereal productsUnknowngenericCeylon cinnamonType 1specificCinnamomum verum128608ClovesType 1specificSyzygium aromaticum219868FigType 1specificFicus carica3494FruitsUnknowngenericGreen teaType 1Herbal teaType 1MuskmelonType 1specificCucumis melo3656PeachType 1specificPrunus persica3760PomesUnknowngenericRed teaType 1Sweet basilType 1specificOcimum basilicum393509.09.09.0mg/100 gTeaType 1specificCamellia sinensis4442appleapricotbitterboiled vegetableboiledvegetablecherryfloralfreshfruityjasminjasmineplumsweetacaricide16A substance used to destroy pests of the subclass Acari (mites and ticks).cardiotonic771A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres.emetic899flavor936A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.hypotensive1021irritant1055laxative1065An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic.tumorigenic1388A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.varroacide1410