1.0 2016-10-03 18:40:57 UTC 2020-06-04 19:14:38 UTC BMDB0030058 BMDB30058 Ethyl propionate Ethyl propanoate, also known as fema 2456, 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). Ethyl propanoate exists as a solid, very hydrophobic, practically insoluble (in water), and relatively neutral molecule. Ethyl propanoate exists in all eukaryotes, ranging from yeast to humans. Ethyl propanoate has been found to be associated with several diseases known as autism, irritable bowel syndrome, ulcerative colitis, and nonalcoholic fatty liver disease; also ethyl propanoate has been linked to the inborn metabolic disorders including celiac disease. Ethyl N-propionate Ethyl propanoate Propionic acid ethyl ester Ethyl N-propionic acid Ethyl propanoic acid Propionate ethyl ester Ethyl propionic acid Ethyl ester OF propanoic acid Ethylpropionate FEMA 2456 Propanoic acid, ethyl ester Propionic acid, ethyl ester C5H10O2 102.1317 102.068079564 ethyl propanoate ethyl propionate 105-37-3 CCOC(=O)CC InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3 FKRCODPIKNYEAC-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). Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Carboxylic acid esters 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 Aliphatic acyclic compounds Wax monoesters propanoate ester Liquid melting_point -73 °C water_solubility 19.2 mg/mL at 20 °C logp 1.21 logp 1.32 ALOGPS logs -0.38 ALOGPS logp 0.98 ChemAxon pka_strongest_basic -7 ChemAxon iupac ethyl propanoate ChemAxon average_mass 102.1317 ChemAxon mono_mass 102.068079564 ChemAxon smiles CCOC(=O)CC ChemAxon formula C5H10O2 ChemAxon inchi InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3 ChemAxon inchikey FKRCODPIKNYEAC-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 26.79 ChemAxon polarizability 11.24 ChemAxon rotatable_bond_count 3 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::MsIr 3813 Specdb::MsIr 3814 Specdb::MsMs 69900 Specdb::MsMs 69901 Specdb::MsMs 69902 Specdb::MsMs 128274 Specdb::MsMs 128275 Specdb::MsMs 128276 Specdb::MsMs 2735360 Specdb::MsMs 2735361 Specdb::MsMs 2735362 Specdb::MsMs 2973282 Specdb::MsMs 2973283 Specdb::MsMs 2973284 Specdb::CMs 2918 Specdb::CMs 27029 Specdb::CMs 28090 Specdb::CMs 28131 Specdb::CMs 28281 Specdb::CMs 29009 Specdb::CMs 100504 Specdb::CMs 100505 Specdb::CMs 100506 Specdb::CMs 100507 Specdb::CMs 100508 Specdb::CMs 134642 Specdb::CMs 142376 Specdb::NmrOneD 4423 Specdb::NmrOneD 4541 Specdb::NmrOneD 160669 Specdb::NmrOneD 160670 Specdb::NmrOneD 160671 Specdb::NmrOneD 160672 Specdb::NmrOneD 160673 Specdb::NmrOneD 160674 Specdb::NmrOneD 160675 Specdb::NmrOneD 160676 Specdb::NmrOneD 160677 Specdb::NmrOneD 160678 Specdb::NmrOneD 160679 Specdb::NmrOneD 160680 Specdb::NmrOneD 160681 Specdb::NmrOneD 160682 Specdb::NmrOneD 160683 Specdb::NmrOneD 160684 Specdb::NmrOneD 160685 Specdb::NmrOneD 160686 Specdb::NmrOneD 160687 Specdb::NmrOneD 160688 Milk 0.12 +/- 0.05 mg/100g dry matter content Italian raw milk Brigitta Gaspardo et al. Determination of volatile fractions in raw milk and ripened cheese by means of GC-MS. Results of a survey performed in the marginal area between Italy and Slovenia. Italian Jounal of Animal Science Vol 8, 377-390, 2009 Milk 0.07 +/- 3.29 mg/100g dry matter content Slovenian raw milk Brigitta Gaspardo et al. Determination of volatile fractions in raw milk and ripened cheese by means of GC-MS. Results of a survey performed in the marginal area between Italy and Slovenia. Italian Jounal of Animal Science Vol 8, 377-390, 2009 Milk 0.000706 +/- 0.000605 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 Milk 0.00111 +/- 0.00161 uM In raw milk samples for diets based on hay 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 FDB001366 7463 41330 7749 C00035617 Ethyl propionate CA1 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 Brigitta Gaspardo et al. Determination of volatile fractions in raw milk and ripened cheese by means of GC-MS. Results of a survey performed in the marginal area between Italy and Slovenia. Italian Jounal of Animal Science Vol 8, 377-390, 2009