o-Methylbenzyl acetate

Base Information

• Chemical Name: o-Methylbenzyl acetate
• CAS No.: 17373-93-2
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• Hs Code.: 2915390090
• European Community (EC) Number: 241-412-2
• UNII: MOW7I1L9D3
• DSSTox Substance ID: DTXSID90169650
• Nikkaji Number: J101.513C
• Wikidata: Q27284150
• Metabolomics Workbench ID: 49374
• Mol file: 17373-93-2.mol

Synonyms:o-Methylbenzyl acetate;17373-93-2;(2-methylphenyl)methyl acetate;2-Methylbenzyl acetate;Benzenemethanol, 2-methyl-, acetate;Benzyl alcohol, o-methyl-, acetate;2-Methylbenzyl alcohol acetate;Acetic acid, (2-methylphenyl)methyl ester;UNII-MOW7I1L9D3;MOW7I1L9D3;EINECS 241-412-2;AI3-21537;o-Methylbenzylacetate;2-Methylbenzyl acetate #;ortho-methyl benzyl acetate;O-ACETOXYMETHYLTOLUENE;o-Methylbenzyl alcohol acetate;SCHEMBL1984327;DTXSID90169650;CHEBI:180406;FEMA NO. 3702, O-;AKOS004907996;FT-0637544;A811563;Q27284150

Chemical Property of o-Methylbenzyl acetate

Chemical Property:

• Vapor Pressure: 0.0802mmHg at 25°C
• Refractive Index: 1.505
• Boiling Point: 226.8 °C at 760 mmHg
• Flash Point: 99.7 °C
• PSA: 26.30000
• Density: 1.035 g/cm³
• LogP: 2.05810
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

98%min ^*data from raw suppliers

ORTHO-METHYLBENZYL ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1COC(=O)C

Technology Process of o-Methylbenzyl acetate

There total 24 articles about o-Methylbenzyl 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%

vinyl acetate (108-05-4,9003-20-7) + 2-methyl-benzyl alcohol (89-95-2) → 2-methylbenzyl acetate (17373-93-2)

Guidance literature:

With pseudomonas fuorescens lipase immobilized on multiwall carbon nano-tubes; at 50 ℃; for 5h; Green chemistry;

DOI:10.1039/c5ra10032a

Reference yield: 99.0%

benzyl>acetate (100642-59-9) → 2-methylbenzyl acetate (17373-93-2)

Guidance literature:

With potassium fluoride; 18-crown-6 ether; acrylonitrile; In acetonitrile; at 20 ℃; for 42h;

DOI:10.1055/s-0033-1341238

Reference yield: 97.0%

2-methyl-benzyl alcohol (89-95-2) + acetic anhydride (108-24-7) → 2-methylbenzyl acetate (17373-93-2)

Guidance literature:

With 1,3,5-tribromo-1,3,5-triazinane-2,4,6-trione; In neat (no solvent); at 20 ℃; for 0.283333h;

DOI:10.13005/ojc/310335

upstream raw materials:

2-methyl-benzyl alcohol

acetic anhydride

o-xylene

[bis(acetoxy)iodo]benzene

Downstream raw materials:

4,4,5,5-tetramethyl-2-[(2-methylphenyl)methyl]-1,3,2-dioxaborolane

Ν-(2-methylbenzyl)benzamide

2-benzyltoluene

Trimethyl-(2-o-tolyl-ethoxy)-silane

Refernces

• 1、 Behera, Satyaranjan,Patra, Braja N.. "An efficient, economical and eco-friendly acylation of alcohols and amines by alum doped nanopolyaniline under solvent free condition". . . Retrieved 2021/08/06.
• 2、 Khaligh, Nader Ghaffari,Mihankhah, Taraneh,Johan, Mohd Rafie,Juan, Joon Ching. "4-Imidazol-1-yl-butane-1-sulfonic acid ionic liquid: Synthesis, structural analysis, physical properties and catalytic application as dual solvent-catalyst". . p. 866 - 878. Retrieved 2019/07/12.