1.0 2016-10-03 18:40:56 UTC 2020-06-04 18:58:13 UTC BMDB0030028 BMDB30028 Ethyl isovalerate Ethyl 3-methyl butanoate, also known as ethyl 3-methylbutyric acid or ethyl isopentanoate, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Ethyl 3-methyl butanoate exists as a solid, very hydrophobic, practically insoluble (in water), and relatively neutral molecule. Ethyl 3-methyl butanoate exists in all eukaryotes, ranging from yeast to humans. Ethyl 3-methylbutyrate Ethyl beta-methylbutyrate Ethyl isopentanoate Ethyl 3-methylbutyric acid Ethyl b-methylbutyrate Ethyl b-methylbutyric acid Ethyl beta-methylbutyric acid Ethyl β-methylbutyrate Ethyl β-methylbutyric acid Ethyl isopentanoic acid Ethyl isovaleric acid 3-Methylbutanoic acid ethyl ester 3-Methylbutyric acid ethyl ester Butyric acid, 3-methyl-, ethyl ester (6ci,7ci,8ci) Ethyl 3-methylbutanoate Ethyl iso-pentanoate Ethyl isovalerianate Ethylisovalerate FEMA 2463 Isovaleric acid, ethyl ester Ethyl 3-methyl-butanoic acid Ethyl isovalerate Ethyl 3-methyl butanoic acid C7H14O2 130.1849 130.099379692 ethyl 3-methylbutanoate ethyl isovalerate 108-64-5 CCOC(=O)CC(C)C InChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3 PPXUHEORWJQRHJ-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Fatty acid esters Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds Wax monoesters fatty acid ethyl ester Liquid melting_point -99.3 °C water_solubility 2 mg/mL at 20 °C logp 2.21 ALOGPS logs -1.51 ALOGPS logp 1.71 ChemAxon pka_strongest_basic -7 ChemAxon iupac ethyl 3-methylbutanoate ChemAxon average_mass 130.1849 ChemAxon mono_mass 130.099379692 ChemAxon smiles CCOC(=O)CC(C)C ChemAxon formula C7H14O2 ChemAxon inchi InChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3 ChemAxon inchikey PPXUHEORWJQRHJ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 35.94 ChemAxon polarizability 14.99 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::EiMs 1926 Specdb::MsIr 3797 Specdb::MsIr 3798 Specdb::CMs 2449 Specdb::CMs 27808 Specdb::CMs 27879 Specdb::CMs 100491 Specdb::CMs 100492 Specdb::CMs 150605 Specdb::MsMs 108000 Specdb::MsMs 108001 Specdb::MsMs 108002 Specdb::MsMs 175113 Specdb::MsMs 175114 Specdb::MsMs 175115 Specdb::MsMs 2330238 Specdb::MsMs 2330239 Specdb::MsMs 2330240 Specdb::MsMs 2635393 Specdb::MsMs 2635394 Specdb::MsMs 2635395 Specdb::NmrOneD 3786 Specdb::NmrOneD 4045 Specdb::NmrOneD 160530 Specdb::NmrOneD 160531 Specdb::NmrOneD 160532 Specdb::NmrOneD 160533 Specdb::NmrOneD 160534 Specdb::NmrOneD 160535 Specdb::NmrOneD 160536 Specdb::NmrOneD 160537 Specdb::NmrOneD 160538 Specdb::NmrOneD 160539 Specdb::NmrOneD 160540 Specdb::NmrOneD 160541 Specdb::NmrOneD 160542 Specdb::NmrOneD 160543 Specdb::NmrOneD 160544 Specdb::NmrOneD 160545 Specdb::NmrOneD 160546 Specdb::NmrOneD 160547 Specdb::NmrOneD 160548 Specdb::NmrOneD 160549 Milk 0.000396 +/- 0.000712 uM In raw milk samples for diets based on maize silage Toso B, Procida G, Stefanon B: Determination of volatile compounds in cows' milk using headspace GC-MS. J Dairy Res. 2002 Nov;69(4):569-77. 12463694 FDB001326 7657 31571 7945 C12290 C00050449 Ethyl isovalerate Toso B, Procida G, Stefanon B: Determination of volatile compounds in cows' milk using headspace GC-MS. J Dairy Res. 2002 Nov;69(4):569-77. 12463694