1.0 2010-04-08 22:04:55 UTC 2025-11-18 22:30:14 UTC FDB001326 Ethyl isovalerate Found in fruits and vegetables e.g. apple, banana, melon, strawberry, pineapple, blackberries and celery. It is used in fruit aroma compositions. Flavouring ingredient. 3-Methylbutanoic acid ethyl ester 3-Methylbutyric acid ethyl ester Butyric acid, 3-methyl-, ethyl ester (6CI,7CI,8CI) Ethyl 3-methylbutanoate Ethyl 3-methylbutyrate Ethyl beta-methylbutyrate Ethyl iso-pentanoate Ethyl isopentanoate Ethyl isovalerate Ethyl isovalerianate Ethylisovalerate FEMA 2463 Isovaleric acid, ethyl ester 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. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds 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 Wax monoesters fatty acid ethyl ester logp 2.21 ALOGPS logs -1.51 ALOGPS solubility 4.05e+00 g/l ALOGPS melting_point Mp -99.3° 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 Specdb::MsIr 3797 Specdb::MsIr 3798 Specdb::EiMs 1926 Specdb::CMs 2449 Specdb::CMs 27808 Specdb::CMs 27879 Specdb::CMs 100491 Specdb::CMs 100492 Specdb::CMs 150605 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 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 HMDB30028 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bilberry Type 1 specific Vaccinium myrtillus 180763 Bison Type 1 specific Bison bison 9901 Blackberry Type 1 specific Rubus Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Celery stalks Type 1 specific Apium graveolens var. dulce 117781 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Evergreen blackberry Type 1 specific Rubus laciniatus Fruits Unknown generic Green bell pepper Type 1 specific Capsicum annuum 4072 Green vegetables Unknown generic Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Herbs and Spices Unknown generic Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 Horse Type 1 specific Equus caballus 9796 Lowbush blueberry Type 1 specific Vaccinium angustifolium 472369 Mallard duck Type 1 specific Anas platyrhynchos 8839 Milk (Cow) Type 2 specific 0.000396 0.000396 0.000396 uM Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Orange bell pepper Type 1 specific Capsicum annuum 4072 Ostrich Type 1 specific Struthio camelus 8801 Pepper Type 1 specific Capsicum annuum 4072 Pheasant Type 1 specific Phasianus colchicus 9054 Pineapple Type 1 specific Ananas comosus 4615 0.039 0.039 0.039 mg/100 g Pomes Unknown generic Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Red bell pepper Type 1 specific Capsicum annuum 4072 Red wine Type 2 3.028025 12.1 0.0 mg/100 g Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 White wine Type 2 0.0 0.0 0.0 mg/100 g Wild boar Type 1 specific Sus scrofa 9823 Wild celery Type 1 specific Apium graveolens 4045 Yellow bell pepper Type 1 specific Capsicum annuum 4072 apple fruit fruity pineapple sweet tutti frutti Cancer preventive 754 A substance that inhibits or prevents the proliferation of neoplasms. Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.