1.0 2010-04-08 22:05:47 UTC 2019-11-26 02:59:08 UTC FDB003386 n-Butyl acetate Flavouring ingredient used in apple flavours n-Butyl acetate, also known as butyl ethanoate, is an organic compound commonly used as a solvent in the production of lacquers and other products. It is also used as a synthetic fruit flavoring in foods such as candy, ice cream, cheeses, and baked goods. Butyl acetate is found in many types of fruit, where along with other chemicals it imparts characteristic flavors. Apples, especially of the Red Delicious variety, are flavored in part by this chemical. It is a colourless flammable liquid with a sweet smell of banana. 1-Acetoxybutane 1-Butanol, acetate 1-Butyl acetate 1-Butyl acetic acid 1-Butylacetate Acetate de butyle Acetate N-butyl ester Acetate, butyl ester Acetic acid de butyle Acetic acid n-butyl ester Acetic acid, butyl ester Butyl acetate Butyl acetate, n- Butyl acetic acid Butyl ester OF acetate Butyl ester of acetic acid Butyl ethanoate Butyl ethanoic acid Butylacetat Butylazetat CH3COO(CH2)3CH3 Essigsaeure-N-butylester Essigsaeurebutylester n-Butyl acetate N-Butyl acetic acid n-Butyl ethanoate N-Butyl ethanoic acid n-Butylacetate C6H12O2 116.1583 116.083729628 butyl acetate butyl acetate 123-86-4 CCCCOC(C)=O InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 DKPFZGUDAPQIHT-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 an ester melting_point Fp -77° logp 1.25 ChemAxon pka_strongest_basic -7 ChemAxon iupac butyl acetate ChemAxon average_mass 116.1583 ChemAxon mono_mass 116.083729628 ChemAxon smiles CCCCOC(C)=O ChemAxon formula C6H12O2 ChemAxon inchi InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 ChemAxon inchikey DKPFZGUDAPQIHT-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 31.29 ChemAxon polarizability 13.42 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1911 Specdb::MsIr 4364 Specdb::MsIr 4365 Specdb::NmrOneD 3825 Specdb::NmrOneD 4091 Specdb::MsMs 21209 Specdb::MsMs 21210 Specdb::MsMs 21211 Specdb::MsMs 22760 Specdb::MsMs 22761 Specdb::MsMs 22762 Specdb::MsMs 2367811 Specdb::MsMs 2367812 Specdb::MsMs 2367813 Specdb::MsMs 2567123 Specdb::MsMs 2567124 Specdb::MsMs 2567125 Specdb::CMs 2417 Specdb::CMs 26950 Specdb::CMs 26951 Specdb::CMs 26976 Specdb::CMs 27047 Specdb::CMs 27838 Specdb::CMs 28613 Specdb::CMs 100725 Specdb::CMs 100726 Specdb::CMs 100727 Specdb::CMs 100728 Specdb::CMs 100729 Specdb::CMs 100730 Specdb::CMs 136393 Specdb::CMs 144127 HMDB31325 31328 8JZ #<Reference:0x000055ce3267d030> #<Reference:0x000055ce3267ce50> Apple Type 1 specific Malus pumila 283210 Banana Type 1 specific Musa acuminata 4641 Black elderberry Type 1 specific Sambucus nigra 4202 Blackcurrant Type 1 specific Ribes nigrum 78511 Cocoa bean Type 1 specific Theobroma cacao 3641 Guava Type 1 specific Psidium guajava 120290 Muskmelon Type 1 specific Cucumis melo 3656 Papaya Type 1 specific Carica papaya 3649 Pear Type 1 specific Pyrus communis 23211 Pomes Unknown generic banana ethereal fruity pear solvent Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.