1.0 2016-10-03 18:41:06 UTC 2020-06-04 18:59:54 UTC BMDB0031523 BMDB31523 Methyl acetate Methyl acetate, also known as devoton or tereton, belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group. Methyl acetate exists as a solid, possibly soluble (in water), and an extremely weak basic (essentially neutral) compound (based on its pKa) molecule. Methyl acetate exists in all living organisms, ranging from bacteria to humans. Acetate de methyle Acetic acid methyl ester AcOMe CH3CO2CH3 CH3COOCH3 Devoton MeOAc Methyl ethanoate Methylacetat Tereton Acetic acid de methyle Acetate methyl ester Methyl ethanoic acid Methyl acetic acid Acetic acid, methyl ester Acetic acid,methyl ester Ethyl ester OF monoacetic acid FEMA 2676 HSDB 95 METHYL acetATE, 97% Methyl acetic ester Methyl ester OF acetic acid Methyl-acetate Methylacetaat Methyle (acetate de) Methylester kiseliny octove Metile Metile (acetato di) Octan metylu C3H6O2 74.0785 74.036779436 methyl acetate methyl acetate 79-20-9 COC(C)=O InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3 KXKVLQRXCPHEJC-UHFFFAOYSA-N belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Methyl esters Carbonyl compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds a small molecule acetate ester methyl ester Liquid melting_point -98.7 °C water_solubility 243 mg/mL at 20 °C logp 0.18 logp 0.18 ALOGPS logs 0.54 ALOGPS logp -0.077 ChemAxon pka_strongest_basic -7 ChemAxon iupac methyl acetate ChemAxon average_mass 74.0785 ChemAxon mono_mass 74.036779436 ChemAxon smiles COC(C)=O ChemAxon formula C3H6O2 ChemAxon inchi InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3 ChemAxon inchikey KXKVLQRXCPHEJC-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 17.41 ChemAxon polarizability 7.36 ChemAxon rotatable_bond_count 1 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::EiMs 1936 Specdb::MsIr 4583 Specdb::MsIr 4584 Specdb::CMs 25555 Specdb::CMs 27043 Specdb::CMs 27745 Specdb::CMs 28609 Specdb::CMs 100828 Specdb::CMs 100829 Specdb::CMs 100830 Specdb::CMs 172935 Specdb::MsMs 49737 Specdb::MsMs 49738 Specdb::MsMs 49739 Specdb::MsMs 169182 Specdb::MsMs 169183 Specdb::MsMs 169184 Specdb::MsMs 1471168 Specdb::MsMs 2776751 Specdb::MsMs 2776752 Specdb::MsMs 2776753 Specdb::MsMs 2902110 Specdb::MsMs 2902111 Specdb::MsMs 2902112 Specdb::NmrOneD 3985 Specdb::NmrOneD 4269 Specdb::NmrOneD 164449 Specdb::NmrOneD 164450 Specdb::NmrOneD 164451 Specdb::NmrOneD 164452 Specdb::NmrOneD 164453 Specdb::NmrOneD 164454 Specdb::NmrOneD 164455 Specdb::NmrOneD 164456 Specdb::NmrOneD 164457 Specdb::NmrOneD 164458 Specdb::NmrOneD 164459 Specdb::NmrOneD 164460 Specdb::NmrOneD 164461 Specdb::NmrOneD 164462 Specdb::NmrOneD 164463 Specdb::NmrOneD 164464 Specdb::NmrOneD 164465 Specdb::NmrOneD 164466 Specdb::NmrOneD 164467 Specdb::NmrOneD 164468 Milk 0.00222 +/- 0.00111 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 0.00250 +/- 0.00167 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 0.00167 +/- 0.00139 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 FDB008125 6335 6584 77700 C00048479 C17530 METHYL-ACETATE Methyl_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