1.0 2010-04-08 22:10:11 UTC 2025-11-18 23:36:55 UTC FDB012452 2-Methylbutyl acetate Present in apple juice, flavouring ingredient. 2-Methylbutyl acetate is found in allspice, fig, and pomes. (±)-2-Methylbutyl acetate 1-Butanol, 2-methyl-, 1-acetate 1-Butanol, 2-methyl-, acetate 2-Methybutyl acetate 2-Methyl-1-butanol acetate 2-Methyl-1-butyl acetate 2-Methylbutanol acetate 2-Methylbutyl acetate Acetic acid 2-methylbutyl ester Active amyl acetate FEMA 3644 C7H14O2 130.1849 130.099379692 2-methylbutyl acetate β-methylbutyl acetate 624-41-9 CCC(C)COC(C)=O InChI=1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3 XHIUFYZDQBSEMF-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 logp 2.41 ALOGPS logs -1.79 ALOGPS solubility 2.09e+00 g/l ALOGPS logp 1.61 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-methylbutyl acetate ChemAxon average_mass 130.1849 ChemAxon mono_mass 130.099379692 ChemAxon smiles CCC(C)COC(C)=O ChemAxon formula C7H14O2 ChemAxon inchi InChI=1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3 ChemAxon inchikey XHIUFYZDQBSEMF-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 35.76 ChemAxon polarizability 15.07 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 3236 Specdb::CMs 174643 Specdb::MsIr 6447 Specdb::MsIr 6448 Specdb::MsMs 9542 Specdb::MsMs 9543 Specdb::MsMs 9544 Specdb::MsMs 16214 Specdb::MsMs 16215 Specdb::MsMs 16216 Specdb::MsMs 2452129 Specdb::MsMs 2452130 Specdb::MsMs 2452131 Specdb::MsMs 2483233 Specdb::MsMs 2483234 Specdb::MsMs 2483235 Specdb::NmrOneD 4510 Specdb::NmrOneD 4636 Specdb::NmrOneD 124618 Specdb::NmrOneD 124619 Specdb::NmrOneD 124620 Specdb::NmrOneD 124621 Specdb::NmrOneD 124622 Specdb::NmrOneD 124623 Specdb::NmrOneD 124624 Specdb::NmrOneD 124625 Specdb::NmrOneD 124626 Specdb::NmrOneD 124627 Specdb::NmrOneD 124628 Specdb::NmrOneD 124629 Specdb::NmrOneD 124630 Specdb::NmrOneD 124631 Specdb::NmrOneD 124632 Specdb::NmrOneD 124633 Specdb::NmrOneD 124634 Specdb::NmrOneD 124635 Specdb::NmrOneD 124636 Specdb::NmrOneD 124637 HMDB34166 #<Reference:0x000055ce32435e30> Allspice Type 1 specific Pimenta dioica 375272 0.3 0.3 0.3 mg/100 g Apple Type 1 specific Malus pumila 283210 Asian pear Type 1 specific Pyrus pyrifolia 3767 Cucumber Type 1 specific Cucumis sativus 3659 Fig Type 1 specific Ficus carica 3494 Pomes Unknown generic Sweet cherry Type 1 specific Prunus avium 42229 banana fruit juicy overripe fruit peanut sweet