1.0 2010-04-08 22:07:56 UTC 2020-09-17 15:36:00 UTC FDB008132 Isopentyl acetate 1-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-acetate 1-Butanol, 3-methyl-, acetate 3-Methyl butyl ester acetic acid 3-Methyl-1-butanol acetate 3-Methyl-1-butanol acetic acid 3-Methyl-1-butanol, acetate 3-Methyl-1-butanyl acetate 3-Methyl-1-butyl acetate 3-Methyl-1-butyl acetic acid 3-Methyl-but-1-yl acetate 3-Methyl-but-1-yl acetic acid 3-Methylbutyl acetate 3-Methylbutyl ethanoate 3-Methylbutyl ethanoic acid Acetate d'isoamyle Acetate d'isopentyle Acetate de 3-methylbutyle Acetate, 3-methylbutyl ester Acetate, isopentyl ester Acetic acid d'isoamyle Acetic acid d'isopentyle Acetic acid de 3-methylbutyle Acetic acid, 3-methylbutyl ester Acetic acid, isopentyl ester Amylacetic ester b-Methyl butyl acetate b-Methyl butyl acetic acid beta-Methyl butyl acetate beta-Methyl butyl acetic acid CH3C(O)O(CH2)2CH(CH3)2 FEMA 2055 I-Amyl acetate I-amyl acetic acid Isoamyl acetate Isoamyl acetic acid Isoamyl acetate Isoamyl ethanoate Isoamyl ethanoic acid Isoamylacetat Isoamylazetat Isopentyl acetate Isopentyl acetic acid Isopentyl ethanoate Isopentyl ethanoic acid β-methyl butyl acetate β-methyl butyl acetic acid C7H14O2 130.1849 130.099379692 3-methylbutyl acetate banana oil 123-92-2 CC(C)CCOC(C)=O InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3 MLFHJEHSLIIPHL-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 esters Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Aliphatic acyclic compounds Carbonyl compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound acetate ester Liquid logp 2.36 ALOGPS logs -1.80 ALOGPS solubility 2.06e+00 g/l ALOGPS melting_point -78.5 oC logp 1.53 ChemAxon pka_strongest_basic -7 ChemAxon iupac 3-methylbutyl acetate ChemAxon average_mass 130.1849 ChemAxon mono_mass 130.099379692 ChemAxon smiles CC(C)CCOC(C)=O ChemAxon formula C7H14O2 ChemAxon inchi InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3 ChemAxon inchikey MLFHJEHSLIIPHL-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 35.84 ChemAxon polarizability 15.18 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 343 Specdb::MsIr 4590 Specdb::MsIr 4591 Specdb::MsMs 97950 Specdb::MsMs 97951 Specdb::MsMs 97952 Specdb::MsMs 162759 Specdb::MsMs 162760 Specdb::MsMs 162761 Specdb::MsMs 2365432 Specdb::MsMs 2365433 Specdb::MsMs 2365434 Specdb::MsMs 2596801 Specdb::MsMs 2596802 Specdb::MsMs 2596803 Specdb::CMs 2908 Specdb::CMs 26954 Specdb::CMs 26955 Specdb::CMs 26978 Specdb::CMs 27050 Specdb::CMs 27833 Specdb::CMs 27841 Specdb::CMs 28616 Specdb::CMs 100835 Specdb::CMs 100836 Specdb::CMs 100837 Specdb::CMs 100838 Specdb::CMs 100839 Specdb::CMs 100840 Specdb::CMs 100841 Specdb::CMs 161402 Specdb::NmrOneD 2203 Specdb::NmrOneD 2897 Specdb::NmrOneD 164529 Specdb::NmrOneD 164530 Specdb::NmrOneD 164531 Specdb::NmrOneD 164532 Specdb::NmrOneD 164533 Specdb::NmrOneD 164534 Specdb::NmrOneD 164535 Specdb::NmrOneD 164536 Specdb::NmrOneD 164537 Specdb::NmrOneD 164538 Specdb::NmrOneD 164539 Specdb::NmrOneD 164540 Specdb::NmrOneD 164541 Specdb::NmrOneD 164542 Specdb::NmrOneD 164543 Specdb::NmrOneD 164544 Specdb::NmrOneD 164545 Specdb::NmrOneD 164546 Specdb::NmrOneD 164547 Specdb::NmrOneD 164548 HMDB31528 31725 #<Reference:0x000055ce322558e0> Apple Type 1 specific Malus pumila 283210 Asian pear Type 1 specific Pyrus pyrifolia 3767 Banana Type 1 specific Musa acuminata 4641 Beer Type 2 specific 1.699167 4.4 0.015 mg/100 g Black elderberry Type 1 specific Sambucus nigra 4202 Black tea Type 1 Blackberry Type 1 specific Rubus Evergreen blackberry Type 1 specific Rubus laciniatus Fig Type 1 specific Ficus carica 3494 Fruits Unknown generic Green tea Type 1 Guava Type 1 specific Psidium guajava 120290 Herbal tea Type 1 Papaya Type 1 specific Carica papaya 3649 Red tea Type 1 Red wine Type 2 979.4785 1957.0 1.957 mg/100 g Tea Type 1 specific Camellia sinensis 4442 White wine Type 2 2.759 5.518 0.0 mg/100 g banana bitter fruity solvent sweet Irritant 1055 Perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.