1.0 2010-04-08 22:04:56 UTC 2015-07-20 21:40:02 UTC FDB001363 Isopropyl propionate Flavouring ingredient 1-Methylethyl propanoate C2H5C(O)OCH(CH3)2 FEMA 2959 Iso-propyl n-propionate Iso-propyl propanoate Isopropyl ester of propanoic acid Isopropyl propanoate Isopropyl propionate Isopropyl propionate [UN2409] [Flammable liquid] Propanoic acid, 1-methylethyl ester Propionic acid isopropyl ester Propionic acid, isopropyl ester C6H12O2 116.1583 116.083729628 propan-2-yl propanoate isopropyl propionate 637-78-5 CCC(=O)OC(C)C InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3 IJMWOMHMDSDKGK-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 1.73 ALOGPS logs -0.95 ALOGPS solubility 1.30e+01 g/l ALOGPS logp 1.4 ChemAxon pka_strongest_basic -7 ChemAxon iupac propan-2-yl propanoate ChemAxon average_mass 116.1583 ChemAxon mono_mass 116.083729628 ChemAxon smiles CCC(=O)OC(C)C ChemAxon formula C6H12O2 ChemAxon inchi InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3 ChemAxon inchikey IJMWOMHMDSDKGK-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 31.21 ChemAxon polarizability 12.93 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3811 Specdb::MsIr 3812 Specdb::NmrOneD 160649 Specdb::NmrOneD 160650 Specdb::NmrOneD 160651 Specdb::NmrOneD 160652 Specdb::NmrOneD 160653 Specdb::NmrOneD 160654 Specdb::NmrOneD 160655 Specdb::NmrOneD 160656 Specdb::NmrOneD 160657 Specdb::NmrOneD 160658 Specdb::NmrOneD 160659 Specdb::NmrOneD 160660 Specdb::NmrOneD 160661 Specdb::NmrOneD 160662 Specdb::NmrOneD 160663 Specdb::NmrOneD 160664 Specdb::NmrOneD 160665 Specdb::NmrOneD 160666 Specdb::NmrOneD 160667 Specdb::NmrOneD 160668 Specdb::CMs 9419 Specdb::CMs 27031 Specdb::CMs 28086 Specdb::CMs 28143 Specdb::CMs 28284 Specdb::CMs 100500 Specdb::CMs 100501 Specdb::CMs 100502 Specdb::CMs 100503 Specdb::CMs 134951 Specdb::CMs 142685 Specdb::MsMs 11438 Specdb::MsMs 11439 Specdb::MsMs 11440 Specdb::MsMs 18110 Specdb::MsMs 18111 Specdb::MsMs 18112 Specdb::MsMs 2364673 Specdb::MsMs 2364674 Specdb::MsMs 2364675 Specdb::MsMs 2597599 Specdb::MsMs 2597600 Specdb::MsMs 2597601 HMDB30056 #<Reference:0x000055ce304c2418> banana bitter ether fruity pineapple sweet