M-Tolyl acetate

Base Information

• Chemical Name: M-Tolyl acetate
• CAS No.: 122-46-3
• Molecular Formula: C9H10O2
• Molecular Weight: 150.177
• Hs Code.: 38220090
• European Community (EC) Number: 204-546-2
• NSC Number: 759321,4795
• UNII: 73UDH1DF0R
• DSSTox Substance ID: DTXSID7046041
• Nikkaji Number: J5.355D
• Wikidata: Q27266207
• NCI Thesaurus Code: C87635
• Metabolomics Workbench ID: 67823
• ChEMBL ID: CHEMBL447986
• Mol file: 122-46-3.mol

Synonyms:cresatin;metacresyl acetate

Chemical Property of M-Tolyl acetate

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 0.183mmHg at 25°C
• Melting Point: 12°C(lit.)
• Refractive Index: n20/D 1.501(lit.)
• Boiling Point: 211.4 °C at 760 mmHg
• Flash Point: 85.2 °C
• PSA: 26.30000
• Density: 1.047 g/cm³
• LogP: 1.92030
• Water Solubility.: Not miscible or difficult to mix with water.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

m-Tolyl Acetate >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)OC(=O)C
• Uses: antiseptic (topical) Cresyl Acetate is a flavoring agent that is a clear and colorless liquid with a strong, flowery odor. It is soluble in most fixed oils and propylene glycol, moderately soluble in mineral oil, and insoluble in glycerin. It is obtained by chemical synthesis. It is also termed p-toyl acetate. m-Tolyl acetate as a pharmaceutical intermediate and antiseptic.

Technology Process of M-Tolyl acetate

There total 33 articles about M-Tolyl 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: 100.0%

acetic anhydride (108-24-7) + 3-methyl-phenol (108-39-4) → 3-acetoxytoluene (122-46-3)

Guidance literature:

With pyridine; In dichloromethane;

DOI:10.1016/S0040-4020(98)01096-5

Reference yield: 98.0%

3-methyl-phenol (108-39-4) + acetyl chloride (75-36-5) → 3-acetoxytoluene (122-46-3)

Guidance literature:

zirconium(IV) oxychloride; at 20 ℃; for 0.0833333h;

DOI:10.1016/j.tetlet.2004.10.164

Reference yield: 95.0%

Acetyl bromide (506-96-7) + (3-methylphenoxy)trimethylsilane (17902-31-7) → 3-acetoxytoluene (122-46-3)

Guidance literature:

With tin(II) bromide; In dichloromethane; for 0.333333h; Ambient temperature;

DOI:10.1016/S0040-4039(00)73040-1

upstream raw materials:

4'-hydroxy-2'methylacetophenone

acetic anhydride

3-methyl-phenol

acetic acid

Downstream raw materials:

3-benzyloxytoluene

3-methylphenolate anion

potassium acetate

6-methylbenzofuran-3(2H)-one

Refernces

• 1、 Tommila,Hinshelwood. "-". . p. 1801,1805. Retrieved 1938.
• 2、 Mandal, Tanmoy,Yadav, Sudha,Choudhury, Joyanta. "Steric effect of NHC ligands in Pd(II)–NHC-catalyzed non-directed C–H acetoxylation of simple arenes". . . Retrieved 2021.
• 3、 Batra,Rozdon. "-". . p. 349. Retrieved 1949.
• 4、 Guanti, Giuseppe,Cevasco, Giorgio,Thea, Sergio,Dell'Erba, Carlo,Petrillo, Giovanni. "Nucleophilicity of Phenolates in the Reaction with p-Nitrophenyl Acetate in Ethanol". . p. 327 - 330. Retrieved 1981.
• 5、 Galstyan. "Liquid-phase reactions of isomeric methylphenols with ozone". . p. 15 - 19. Retrieved 2010.
• 6、 Majeed, Maitham H.,Shayesteh, Payam,Persson, Axel R.,Wallenberg, L. Reine,Schnadt, Joachim,Wendt, Ola F.. "A PdII Carbene Complex with Anthracene Side-Arms for π-Stacking on Reduced Graphene Oxide (rGO): Activity towards Undirected C–H Oxygenation of Arenes". . p. 4742 - 4746. Retrieved 2018.
• 7、 -. "Method for promoting acylation of amine or alcohol by carbon dioxide". Paragraph 0034-0035. . Retrieved 2021/05/29.