1.02010-04-08 22:07:56 UTC2020-09-17 15:36:00 UTCFDB008132Isopentyl acetate1-Butanol-3-methyl acetate, isoamyl acetate or isopentyl acetate, belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Isoamyl acetate is the ester formed from isoamyl alcohol and acetic acid. It is a colorless liquid that is only slightly soluble in water, but very soluble in most organic solvents. Isoamyl acetate has a strong odor (similar to Juicy Fruit or a pear drop) which is also described as similar to both banana and pear. Banana oil is a term that is applied either to pure isoamyl acetate or to flavorings that are mixtures of isoamyl acetate, amyl acetate, nitrocellulose and other flavors. Pear oil commonly refers to a solution of isoamyl acetate in ethanol that is used as an artificial flavor. Isoamyl acetate is used in banana flavouring. Isoamyl acetate is found naturally in the banana plant. In addition to its role as a flavoring or aroma agent in foods and perfumes, isoamyl acetate is released by a honey bee's sting where it serves as a pheromone to attract other bees and provoke them to sting ( PMID: 13870346).1-Butanol, 3-methyl-, 1-acetate1-Butanol, 3-methyl-, acetate3-Methyl butyl ester acetic acid3-Methyl-1-butanol acetate3-Methyl-1-butanol acetic acid3-Methyl-1-butanol, acetate3-Methyl-1-butanyl acetate3-Methyl-1-butyl acetate3-Methyl-1-butyl acetic acid3-Methyl-but-1-yl acetate3-Methyl-but-1-yl acetic acid3-Methylbutyl acetate3-Methylbutyl ethanoate3-Methylbutyl ethanoic acidAcetate d'isoamyleAcetate d'isopentyleAcetate de 3-methylbutyleAcetate, 3-methylbutyl esterAcetate, isopentyl esterAcetic acid d'isoamyleAcetic acid d'isopentyleAcetic acid de 3-methylbutyleAcetic acid, 3-methylbutyl esterAcetic acid, isopentyl esterAmylacetic esterb-Methyl butyl acetateb-Methyl butyl acetic acidbeta-Methyl butyl acetatebeta-Methyl butyl acetic acidCH3C(O)O(CH2)2CH(CH3)2FEMA 2055I-Amyl acetateI-amyl acetic acidIsoamyl acetateIsoamyl acetic acidIsoamyl acetateIsoamyl ethanoateIsoamyl ethanoic acidIsoamylacetatIsoamylazetatIsopentyl acetateIsopentyl acetic acidIsopentyl ethanoateIsopentyl ethanoic acidβ-methyl butyl acetateβ-methyl butyl acetic acidC7H14O2130.1849130.0993796923-methylbutyl acetatebanana oil123-92-2CC(C)CCOC(C)=OInChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3MLFHJEHSLIIPHL-UHFFFAOYSA-N belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).Carboxylic acid estersOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesCarboxylic acid derivativesAliphatic acyclic compoundsCarbonyl compoundsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAliphatic acyclic compoundCarbonyl groupCarboxylic acid esterHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundacetate esterLiquidlogp2.36logs-1.80solubility2.06e+00 g/lmelting_point-78.5 oClogp1.53pka_strongest_basic-7iupac3-methylbutyl acetateaverage_mass130.1849mono_mass130.099379692smilesCC(C)CCOC(C)=OformulaC7H14O2inchiInChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3inchikeyMLFHJEHSLIIPHL-UHFFFAOYSA-Npolar_surface_area26.3refractivity35.84polarizability15.18rotatable_bond_count4acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::EiMs343Specdb::MsIr4590Specdb::MsIr4591Specdb::CMs2908Specdb::CMs26954Specdb::CMs26955Specdb::CMs26978Specdb::CMs27050Specdb::CMs27833Specdb::CMs27841Specdb::CMs28616Specdb::CMs100835Specdb::CMs100836Specdb::CMs100837Specdb::CMs100838Specdb::CMs100839Specdb::CMs100840Specdb::CMs100841Specdb::CMs161402Specdb::NmrOneD2203Specdb::NmrOneD2897Specdb::NmrOneD164529Specdb::NmrOneD164530Specdb::NmrOneD164531Specdb::NmrOneD164532Specdb::NmrOneD164533Specdb::NmrOneD164534Specdb::NmrOneD164535Specdb::NmrOneD164536Specdb::NmrOneD164537Specdb::NmrOneD164538Specdb::NmrOneD164539Specdb::NmrOneD164540Specdb::NmrOneD164541Specdb::NmrOneD164542Specdb::NmrOneD164543Specdb::NmrOneD164544Specdb::NmrOneD164545Specdb::NmrOneD164546Specdb::NmrOneD164547Specdb::NmrOneD164548Specdb::MsMs97950Specdb::MsMs97951Specdb::MsMs97952Specdb::MsMs162759Specdb::MsMs162760Specdb::MsMs162761Specdb::MsMs2365432Specdb::MsMs2365433Specdb::MsMs2365434Specdb::MsMs2596801Specdb::MsMs2596802Specdb::MsMs2596803HMDB3152831725#<Reference:0x0000555675f2cd50>AppleType 1specificMalus pumila283210Asian pearType 1specificPyrus pyrifolia3767BananaType 1specificMusa acuminata4641BeerType 2specific1.6991674.40.015mg/100 gBlack elderberryType 1specificSambucus nigra4202Black teaType 1BlackberryType 1specificRubusEvergreen blackberryType 1specificRubus laciniatusFigType 1specificFicus carica3494FruitsUnknowngenericGreen teaType 1GuavaType 1specificPsidium guajava120290Herbal teaType 1PapayaType 1specificCarica papaya3649Red teaType 1Red wineType 2979.47851957.01.957mg/100 gTeaType 1specificCamellia sinensis4442White wineType 22.7595.5180.0mg/100 gbananabitterfruitysolventsweetirritant1055perfumery1206A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.