1.0 2010-04-08 22:14:42 UTC 2019-11-26 03:18:11 UTC FDB019968 Butyl isobutyrate Present in various fruits, e.g. apple, apricot, guava fruit, melonand is) also present in provolone cheese, hop oil, honey, white wine and apple brandy. Flavouring agent. Butyl isobutyrate is found in many foods, some of which are milk and milk products, fruits, pomes, and alcoholic beverages. Butyl 2-methylpropanoate Butyl ester of 2-methylpropanoic acid Butyl isobutanoate Butyl isobutyrate FEMA 2188 Isobutyric acid n-butyl ester Isobutyric acid, butyl ester Isobutyric acid, butyl ester (6CI,7CI,8CI) N-butyl isobutyrate Propanoic acid, 2-methyl-, butyl ester C8H16O2 144.2114 144.115029756 butyl 2-methylpropanoate butyl 2-methylpropanoate 97-87-0 CCCCOC(=O)C(C)C InChI=1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3 JSLCOZYBKYHZNL-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 logp 2.82 ALOGPS logs -1.93 ALOGPS solubility 1.68e+00 g/l ALOGPS melting_point <25 oC logp 2.49 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac butyl 2-methylpropanoate ChemAxon average_mass 144.2114 ChemAxon mono_mass 144.115029756 ChemAxon smiles CCCCOC(=O)C(C)C ChemAxon formula C8H16O2 ChemAxon inchi InChI=1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3 ChemAxon inchikey JSLCOZYBKYHZNL-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 40.49 ChemAxon polarizability 17.37 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 4532 Specdb::NmrOneD 4661 Specdb::NmrOneD 39302 Specdb::NmrOneD 39303 Specdb::NmrOneD 39304 Specdb::NmrOneD 39305 Specdb::NmrOneD 39306 Specdb::NmrOneD 39307 Specdb::NmrOneD 39308 Specdb::NmrOneD 39309 Specdb::NmrOneD 39310 Specdb::NmrOneD 39311 Specdb::NmrOneD 39312 Specdb::NmrOneD 39313 Specdb::NmrOneD 39314 Specdb::NmrOneD 39315 Specdb::NmrOneD 39316 Specdb::NmrOneD 39317 Specdb::NmrOneD 39318 Specdb::NmrOneD 39319 Specdb::NmrOneD 39320 Specdb::NmrOneD 39321 Specdb::MsIr 8844 Specdb::MsIr 8845 Specdb::CMs 2543 Specdb::CMs 27274 Specdb::CMs 28106 Specdb::CMs 28148 Specdb::CMs 28552 Specdb::CMs 102091 Specdb::CMs 102092 Specdb::CMs 102093 Specdb::CMs 102094 Specdb::CMs 172697 Specdb::MsMs 55881 Specdb::MsMs 55882 Specdb::MsMs 55883 Specdb::MsMs 111153 Specdb::MsMs 111154 Specdb::MsMs 111155 Specdb::MsMs 2707571 Specdb::MsMs 2707572 Specdb::MsMs 2707573 Specdb::MsMs 3000688 Specdb::MsMs 3000689 Specdb::MsMs 3000690 HMDB40251 #<Reference:0x000055ce2ece6a10> Alcoholic beverages Unknown generic Fruits Unknown generic Milk and milk products Unknown generic Pomes Unknown generic apple banana fruity green sweet tropical