Methyl acetate

Base Information

• Chemical Name: Methyl acetate
• CAS No.: 79-20-9
• Deprecated CAS: 1800084-97-2
• Molecular Formula: C3H6O2
• Molecular Weight: 74.0794
• Hs Code.: 2915.39
• European Community (EC) Number: 201-185-2
• ICSC Number: 0507
• NSC Number: 405071
• UN Number: 1231
• UNII: W684QT396F
• DSSTox Substance ID: DTXSID4021767
• Nikkaji Number: J1.965H
• Wikipedia: Methyl acetate
• Wikidata: Q414189
• Metabolomics Workbench ID: 44925
• ChEMBL ID: CHEMBL14079
• Mol file: 79-20-9.mol

Synonyms:acetic acid methyl ester;methyl acetate

Chemical Property of Methyl acetate

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 368mmHg at 25°C
• Melting Point: -98 °C
• Refractive Index: n20/D 1.361(lit.)
• Boiling Point: 44 °C at 760 mmHg
• Flash Point: 3.2°F
• PSA: 26.30000
• Density: 0.908 g/cm³
• LogP: 0.17930
• Water Solubility.: 250 g/L (20℃)
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 74.036779430
• Heavy Atom Count: 5
• Complexity: 40.2
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F:Flammable;;
• Statements: R11:; R36:; R66:; R67:
• Safety Statements: S16:; S26:; S29:; S33:

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Esters (
• Canonical SMILES: CC(=O)OC
• Inhalation Risk: A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes and respiratory tract. The substance is mildly irritating to the skin. The substance may cause effects on nervous system. Exposure far above the OEL could cause lowering of consciousness.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking. The substance may have effects on the optic nerve. This may result in impaired vision.

Technology Process of Methyl acetate

There total 752 articles about Methyl acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

methanol (67-56-1) + 1,2-Diphenyl-1,2-bis<1-(trimethylsiloxy)ethenyl>diphosphan (82340-08-7,82340-09-8) → Trimethylmethoxysilane (1825-61-2) + acetic acid methyl ester (79-20-9) + 1,2-diphenyldiphosphane (34478-62-1)

Guidance literature:

for 1h; Product distribution; Ambient temperature;

Reference yield: 80.0%

benzyl methyl ether (538-86-3) → acetic acid methyl ester (79-20-9) + benzyl chloride (100-44-7)

Guidance literature:

With acetyl chloride; zinc; In Petroleum ether; at 28 ℃; for 1h;

DOI:10.1021/jo00108a048

Reference yield: 28.5%

carbon dioxide (124-38-9,18923-20-1) + carbon monoxide (201230-82-2) → methanol (67-56-1) + propan-1-ol (71-23-8) + propylene glycol (57-55-6,63625-56-9) + 1,4-Pentanediol (626-95-9) + 1 ,5-pentanediol (111-29-5) + Butane-1,4-diol (110-63-4) + diethyl ether (60-29-7,927820-24-4) + methane (34557-54-5,27936-85-2) + ethanol (64-17-5) + (+/-)-2-pentanol (6032-29-7,13403-73-1) + 1.3-butanediol (18826-95-4,107-88-0) + 1,2-pentanediol (5343-92-0) + ethane (74-84-0) + propane (74-98-6) + Dimethyl ether (115-10-6,157621-61-9) + ethyl methyl ether (540-67-0) + 2-methyl-propan-1-ol (78-83-1) + 2-pentanol (584-02-1) + pentan-1-ol (71-41-0) + 1,3-pentanediol (3174-67-2) + acetic acid methyl ester (79-20-9) + isopropyl alcohol (67-63-0,8013-70-5) + iso-butanol (78-92-2,15892-23-6) + tert-butyl alcohol (75-65-0) + butan-1-ol (71-36-3) + 1,2-dihydroxybutane (584-03-2)

Guidance literature:

With hydrogen; Cu/Co/Al; at 260 - 320 ℃; under 45004.5 - 75007.5 Torr; Conversion of starting material;

upstream raw materials:

diazomethane

methanol

triacetylglycerol

formic acid

Downstream raw materials:

1-(2-thienyl)-1,3-butanedione

acrylic acid methyl ester

tert-butyl alcohol

methyl lactate

Refernces

• 1、 Bandyopadhyay, Mahuya,Tsunoji, Nao,Sano, Tsuneji. "Mesoporous MCM-48 Immobilized with Aminopropyltriethoxysilane: A Potential Catalyst for Transesterification of Triacetin". . p. 1040 - 1050. Retrieved 2017.
• 2、 He, Ting,Ren, Pengju,Liu, Xianchun,Xu, Shutao,Han, Xiuwen,Bao, Xinhe. "Direct observation of DME carbonylation in the different channels of H-MOR zeolite by continuous-flow solid-state NMR spectroscopy". . p. 16868 - 16870. Retrieved 2015.
• 3、 Kazakov, D. V.,Kabalnova, N. N.,Voloshin, A. I.,Shereshovets, V. V.,Kazakov, V. P.. "Chemiluminescence upon decomposition of dimethyldioxirane in the presence of aromatic hydrocarbons". . p. 2193 - 2194. Retrieved 1995.
• 4、 Xue, Huifu,Huang, Xiumin,Zhan, Ensheng,Ma, Meng,Shen, Wenjie. "Selective dealumination of mordenite for enhancing its stability in dimethyl ether carbonylation". . p. 75 - 79. Retrieved 2013.
• 5、 Kim, Jihyeon,Ham, Hyungwon,Jung, Hyun Seung,Wang, Yang,He, Yingluo,Tsubaki, Noritatsu,Cho, Sung June,Han, Gui Young,Bae, Jong Wook. "Dimethyl ether carbonylation to methyl acetate over highly crystalline zeolite seed-derived ferrierite". . p. 3060 - 3072. Retrieved 2018.
• 6、 Cheung, Patricia,Bhan, Aditya,Sunley, Glenn J.,Iglesia, Enrique. "Selective carbonylation of dimethyl ether to methyl acetate catalyzed by acidic zeolites". . p. 1617 - 1620. Retrieved 2006.
• 7、 Lee, Tae Geum,Lee, Ju Hoon,Hyun, Min Young,Jang, Seung Pyo,Lee, Hong Gyu,Kim, Cheal,Kim, Sung-Jin,Kim, Youngmee. "Construction, photoluminescence, and catalytic reactivity study of Cd(II) complexes containing amide ligand with hydrogen-bond capable backbone: 1-Dimensional looped chain". . p. 1493 - 1496. Retrieved 2010.
• 8、 Zhang, Zhitao,Zhao, Na,Ma, Kui,Cheng, Qingpeng,Zhang, Jing,Zheng, Lirong,Tian, Ye,Li, Xingang. "Isolated zinc in mordenite stabilizing carbonylation of dimethyl ether to methyl acetate". . p. 513 - 516. Retrieved 2019.
• 9、 Luzgin, Mikhail V.,Kazantsev, Maxim S.,Volkova, Galina G.,Stepanov, Alexander G.. "Solid-state NMR study of the kinetics and mechanism of dimethyl ether carbonylation on cesium salt of 12-tungstophosphoric acid modified with Ag, Pt, and Rh". . p. 250 - 257. Retrieved 2013.
• 10、 Kazakov,Voloshin,Kabal'nova,Khursan,Shereshovets,Kazakov. "Chemiluminescence and catalysis of decomposition of dimethyldioxirane adsorbed from the gas phase on silipore containing tris(bipyridyl)ruthenium complex Ru(bpy)3Cl2 and 9,10-diphenylanthracene". . p. 1472 - 1477. Retrieved 1998.