1.0 2016-10-03 18:41:02 UTC 2020-06-04 20:19:29 UTC BMDB0031217 BMDB31217 Ethyl acetate Ethyl acetate, also known as 1-acetoxyethane or acetic ester, 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 acetate exists as a solid, possibly soluble (in water), and an extremely weak basic (essentially neutral) compound (based on its pKa) molecule. Ethyl acetate exists in all eukaryotes, ranging from yeast to humans. Ethyl acetate is a potentially toxic compound. 1-Acetoxyethane Acetic acid ethyl ester Acetic acid, ethyl ester Acetic ester Acetoxyethane Acetyl ester AcOEt CH3-CO-O-CH3 Essigester Essigsaeureethylester Ethyl acetic ester Ethyl ethanoate Ethylacetat Ethylazetat EtOAc Vinegar naphtha Acetate ethyl ester Acetate, ethyl ester Ethyl ethanoic acid Ethyl acetic acid Acetic ether Acetic-acid-ethylester Acetidin Dibutylamine Ethyl ester OF acetic acid C4H8O2 88.1051 88.0524295 ethyl acetate ethyl acetate 141-78-6 CCOC(C)=O InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3 XEKOWRVHYACXOJ-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 a small molecule acetate ester Liquid melting_point -83.6 °C water_solubility 80 mg/mL at 25 °C logp 0.73 logp 0.74 ALOGPS logs 0.14 ALOGPS logp 0.28 ChemAxon pka_strongest_basic -7 ChemAxon iupac ethyl acetate ChemAxon average_mass 88.1051 ChemAxon mono_mass 88.0524295 ChemAxon smiles CCOC(C)=O ChemAxon formula C4H8O2 ChemAxon inchi InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3 ChemAxon inchikey XEKOWRVHYACXOJ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 22.16 ChemAxon polarizability 9.28 ChemAxon rotatable_bond_count 2 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::NmrOneD 2243 Specdb::NmrOneD 2938 Specdb::EiMs 565 Specdb::MsIr 4202 Specdb::MsIr 4203 Specdb::MsMs 21191 Specdb::MsMs 21192 Specdb::MsMs 21193 Specdb::MsMs 22742 Specdb::MsMs 22743 Specdb::MsMs 22744 Specdb::MsMs 2469391 Specdb::MsMs 2469392 Specdb::MsMs 2469393 Specdb::MsMs 2493599 Specdb::MsMs 2493600 Specdb::MsMs 2493601 Specdb::CMs 2542 Specdb::CMs 27044 Specdb::CMs 27132 Specdb::CMs 27236 Specdb::CMs 28610 Specdb::CMs 100632 Specdb::CMs 100633 Specdb::CMs 100634 Specdb::CMs 100635 Specdb::CMs 157458 Milk 111.12 +/- 15.87 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 114.33 +/- 23.31 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 0.0127 +/- 0.00877 uM In raw milk samples for diets based on grass 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 0.0189 +/- 0.00514 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 0.0119 +/- 0.00678 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 C00849 FDB003240 8525 C00001308 EEE 27750 8857 Ethyl_acetate 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