1.0 2010-04-08 22:05:44 UTC 2019-11-26 02:58:47 UTC FDB003278 Ethyl 2-methylpropanoate Present in many fruits, e.g. apple, banana, orange, wine grape, strawberry, nectarine. Flavouring agent. Ethyl 2-methylpropanoate is found in many foods, some of which are pomes, citrus, fruits, and spearmint. Ethyl 2-methylpropanoate, 9CI Ethyl 2-methylpropionate Ethyl 2,2-dimethylacetate Ethyl ester of 2-methyl-propanoic acid Ethyl isobutanoate Ethyl isobutyrate Ethyl-2-methylproanoate Ethylisobutyrate Ethylmethylpropanoate FEMA 2428 Isobutyrate ethyl ester Isobutyric acid, ethyl ester Propanoic acid, 2-methyl-, ethyl ester Propionic acid, 2-methyl-, ethyl ester C6H12O2 116.1583 116.083729628 ethyl 2-methylpropanoate ethyl isobutyrate 97-62-1 CCOC(=O)C(C)C InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3 WDAXFOBOLVPGLV-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 Wax monoesters fatty acid methyl ester Liquid logp 1.72 ALOGPS logs -0.93 ALOGPS solubility 1.36e+01 g/l ALOGPS melting_point -88.2 oC logp 1.52 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac ethyl 2-methylpropanoate ChemAxon average_mass 116.1583 ChemAxon mono_mass 116.083729628 ChemAxon smiles CCOC(=O)C(C)C ChemAxon formula C6H12O2 ChemAxon inchi InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3 ChemAxon inchikey WDAXFOBOLVPGLV-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 31.36 ChemAxon polarizability 13.23 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18489 Specdb::CMs 27271 Specdb::CMs 28102 Specdb::CMs 28145 Specdb::CMs 28549 Specdb::CMs 100680 Specdb::CMs 100681 Specdb::CMs 100682 Specdb::CMs 100683 Specdb::CMs 167151 Specdb::MsIr 4257 Specdb::MsIr 4258 Specdb::NmrOneD 163189 Specdb::NmrOneD 163190 Specdb::NmrOneD 163191 Specdb::NmrOneD 163192 Specdb::NmrOneD 163193 Specdb::NmrOneD 163194 Specdb::NmrOneD 163195 Specdb::NmrOneD 163196 Specdb::NmrOneD 163197 Specdb::NmrOneD 163198 Specdb::NmrOneD 163199 Specdb::NmrOneD 163200 Specdb::NmrOneD 163201 Specdb::NmrOneD 163202 Specdb::NmrOneD 163203 Specdb::NmrOneD 163204 Specdb::NmrOneD 163205 Specdb::NmrOneD 163206 Specdb::NmrOneD 163207 Specdb::NmrOneD 163208 Specdb::MsMs 84600 Specdb::MsMs 84601 Specdb::MsMs 84602 Specdb::MsMs 146490 Specdb::MsMs 146491 Specdb::MsMs 146492 Specdb::MsMs 2410363 Specdb::MsMs 2410364 Specdb::MsMs 2410365 Specdb::MsMs 2555976 Specdb::MsMs 2555977 Specdb::MsMs 2555978 HMDB31248 #<Reference:0x000055ac410745e8> Alcoholic beverages Unknown generic Apple Type 1 specific Malus pumila 283210 Asian pear Type 1 specific Pyrus pyrifolia 3767 Blackberry Type 1 specific Rubus Citrus Unknown generic Evergreen blackberry Type 1 specific Rubus laciniatus Fig Type 1 specific Ficus carica 3494 Fruits Unknown generic Lowbush blueberry Type 1 specific Vaccinium angustifolium 472369 Pineapple Type 1 specific Ananas comosus 4615 Pomes Unknown generic Red wine Type 2 70.32025 281.0 0.0 mg/100 g Spearmint Type 1 specific Mentha spicata 29719 Sweet bay Type 1 specific Laurus nobilis 85223 White wine Type 2 0.0 0.0 0.0 mg/100 g alcoholic ethereal fruity fusel rubber rummy strawberry sweet flavor 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. irritant 1055