Compound: METHYL ACETATE
SMILES: O=C(OC)C
InChIKey: KXKVLQRXCPHEJC-UHFFFAOYSA-N
Synonyms: METHYL ACETATE, 79-20-9, Devoton, Tereton, Methyl ethanoate, Acetic acid, methyl ester, Acetic acid methyl ester, Methylacetat, Methylacetaat, Acetate de methyle, Methyl acetic ester, Octan metylu, Metile (acetato di), Methyle (acetate de), Methylester kiseliny octove, Ethyl ester of monoacetic acid, FEMA No. 2676, Methyl ester of acetic acid, DTXSID4021767, W684QT396F, NSC-405071, DTXCID101767, CHEBI:77700, RefChem:157767, 201-185-2, HSDB 95, Methylacetat [German], CH3COOCH3, MeOAc, NSC 405071, METHYL-ACETATE, Acetic acid-methyl ester, MFCD00008711, ACETIC ACID,METHYL ESTER, Methylacetat (german), NCGC00090940-01, Methylacetaat [Dutch], Octan metylu [Polish], FEMA Number 2676, Methyl acetate (natural), CAS-79-20-9, Methyl Acetate; Acetic acid methyl ester, Acetate de methyle [French], CCRIS 5846, Methyle (acetate de) [French], Metile (acetato di) [Italian], Methylester kiseliny octove [Czech], EINECS 201-185-2, UN1231, Metile, METHYL ACETATE, 97%, UNII-W684QT396F, AcOMe, 1-Methyl acetate, CH3COOMe, Methyl acetate [UN1231] [Flammable liquid], CH3CO2CH3, EC 201-185-2, SCHEMBL3650, SCHEMBL4876, METHYL ACETATE [MI], SCHEMBL28786, METHYL ACETATE [FCC], WLN: 1VO1, CHEMBL14079, METHYL ACETATE [FHFI], METHYL ACETATE [HSDB], SCHEMBL560510, SCHEMBL771803, SCHEMBL1478374, SCHEMBL3080739, SCHEMBL4906755, Methyl acetate, >=98%, FG, METHYL ACETATE [USP-RS], SCHEMBL12552062, FEMA 2676, Methyl acetate, analytical standard, HY-Y0874, WAA30054, Methyl acetate, anhydrous, 99.5%, Methyl acetate, natural, 98%, FG, Tox21_113243, Tox21_200057, NSC405071, STL281977, AKOS000120042, EBC-627089, Methyl acetate, ReagentPlus(R), 99%, UN 1231, Methyl acetate, for HPLC, >=99.8%, MSK001503-1000M, NCGC00090940-02, NCGC00257611-01, DB-255268, NS00003464, S0300, EN300-15476, Methyl acetate, SAJ first grade, >=99.0%, C17530, Methyl acetate [UN1231]  [Flammable liquid], Methyl acetate, JIS special grade, >=99.5%, InChI=1/C3H6O2/c1-3(4)5-2/h1-2H, Methyl acetate Solution in Methanol, 1000ug/mL, F098761, Q414189, Acetic acid-methyl ester 1000 microg/mL in Methanol, Cetic Acid Methyl EsterDevoton; Methyl Acetate; Methyl Ethanoate, Methyl acetate, United States Pharmacopeia (USP) Reference Standard
Theoretical properties:
molecular_formula: C3H6O2
molecular_weight: 74.08 g/mol
exact_mass: 74.036779430 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 5
topological_polar_surface_area: 26.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless, volatile liquid
color: Colorless, volatile liquid
odor: Pleasant odor
boiling_point: 134.4 °F at 760 mmHg (NTP, 1992)
melting_point: -144 °F (NTP, 1992)
density: 0.927 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: greater than or equal to 100 mg/mL at 70 °F (NTP, 1992)
flash_point: 14 °F (NTP, 1992)
vapor_pressure: 170 mmHg at 68 °F ; 235 mmHg at 77 °F (NTP, 1992)
Descriptions:
pubchem: Methyl acetate is an acetate ester resulting from the formal condensation of acetic acid with methanol. A low-boiling (57 C) colourless, flammable liquid, it is used as a solvent for many resins and oils. It has a role as a fragrance, a polar aprotic solvent and an EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor. It is a volatile organic compound, a methyl ester and an acetate ester.
chebi: An acetate ester resulting from the formal condensation of acetic acid with methanol. A low-boiling (57 °C) colourless, flammable liquid, it is used as a solvent for many resins and oils.
chembl: ACETIC ACID METHYL ESTER is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Methyl acetate, also known as MeOAc, acetic acid methyl ester or methyl ethanoate, is a carboxylate ester with the formula CH3COOCH3. It is a flammable liquid with a characteristically pleasant smell reminiscent of some glues and nail polish removers.   Methyl acetate is occasionally used as a solvent, being weakly polar and lipophilic, but its close relative ethyl acetate is a more common solvent, being less toxic and less soluble in water.   Methyl acetate has a solubility of 25% in water at room temperature.  At elevated temperature its solubility in water is much higher.  Methyl acetate is not stable in the presence of strong aqueous bases or aqueous acids. Methyl acetate is not regulated as a volatile organic compound in the USA.