1.0 2010-04-08 22:07:56 UTC 2020-09-17 15:30:29 UTC FDB008125 Methyl acetate Acetic acid-methyl ester or methyl acetate, also known as devoton, methyl ethanoate 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. It is a clear, flammable liquid with a characteristic, not unpleasant smell like certain glues or nail polish removers. Specifically methyl acetate has a sweet, fruity, cognac or rum-like aroma and a green, fruity taste. Methyl acetate is a flavouring agent and can be found naturally in many fruits, some of which include apple, grape, banana, orange mint, and ginger. It is also used as a perfuming agent in the cosmetic industry. Methyl acetate has characteristics very similar to its analog ethyl acetate. As a result, methyl acetate is used as a solvent in glues, paints, and nail polish removers, in chemical reactions, and for extractions. As an extraction solvent, methyl acetate is a non-polar (lipophilic) to weakly polar (hydrophilic) aprotic solvent. Methyl acetate has a solubility of 25% in water at room temperature. At elevated temperatures its solubility in water is much higher. Methyl acetate is not stable in the presence of strong aqueous bases or acids. Methyl acetate is an ester that can be synthesized from acetic acid and methanol in the presence of strong acids such as sulfuric acid in an esterification reaction. In the presence of strong bases such as sodium hydroxide or strong acids such as hydrochloric acid or sulfuric acid it is hydrolyzed back into methanol and acetic acid, especially at elevated temperature. Acetate de methyle Acetate methyl ester Acetic acid de methyle Acetic acid methyl ester Acetic acid, methyl ester Acetic acid,methyl ester AcOMe CH3CO2CH3 CH3COOCH3 Devoton Ethyl ester of monoacetic acid FEMA 2676 HSDB 95 MeOAc Methyl acetate [UN1231] [Flammable liquid] METHYL ACETATE, 97% Methyl acetic ester Methyl ester of acetic acid Methyl ethanoate Methyl ethanoic acid Methyl-acetate Methylacetaat Methylacetat Methylacetat (german) Methyle (acetate de) Methylester kiseliny octove Metile Metile (acetato di) Octan metylu Tereton 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. Methyl 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 Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound a small molecule acetate ester methyl ester logp 0.18 ALOGPS logs 0.54 ALOGPS solubility 2.59e+02 g/l ALOGPS melting_point Mp -98.7° 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 Specdb::EiMs 1936 Specdb::MsIr 4583 Specdb::MsIr 4584 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 Specdb::CMs 25555 Specdb::CMs 27043 Specdb::CMs 27745 Specdb::CMs 28609 Specdb::CMs 100828 Specdb::CMs 100829 Specdb::CMs 100830 Specdb::CMs 172935 HMDB31523 #<Reference:0x000055ce324d23c0> #<Reference:0x000055ce324d2208> #<Reference:0x000055ce324d1fd8> #<Reference:0x000055ce324d1dd0> #<Reference:0x000055ce324d1bc8> #<Reference:0x000055ce324d19c0> #<Reference:0x000055ce324d1790> #<Reference:0x000055ce324d15b0> #<Reference:0x000055ce324d13d0> #<Reference:0x000055ce324d11c8> #<Reference:0x000055ce324d0ef8> #<Reference:0x000055ce324d0bd8> #<Reference:0x000055ce324d0980> #<Reference:0x000055ce324d06d8> #<Reference:0x000055ce324d04a8> #<Reference:0x000055ce324d0200> #<Reference:0x000055ce324cffa8> #<Reference:0x000055ce324cfdc8> #<Reference:0x000055ce324cfb98> #<Reference:0x000055ce324cf968> Anatidae Type 1 specific Anatidae 8830 Apple Type 1 specific Malus pumila 283210 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Broccoli Type 1 specific Brassica oleracea var. italica 36774 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Fig Type 1 specific Ficus carica 3494 Fruits Unknown generic Ginger Type 1 specific Zingiber officinale 94328 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Milk (Cow) Type 2 specific 0.00213 0.0025 0.00167 uM Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Orange mint Type 1 specific Mentha aquatica 190902 1.6 1.6 1.6 mg/100 g Ostrich Type 1 specific Struthio camelus 8801 Papaya Type 1 specific Carica papaya 3649 Peach Type 1 specific Prunus persica 3760 Pear Type 1 specific Pyrus communis 23211 Pheasant Type 1 specific Phasianus colchicus 9054 Pineapple Type 1 specific Ananas comosus 4615 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Sunflower Type 1 specific Helianthus annuus 4232 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 bitter ether fruity sweet Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Trypsin enhancer 1386