Formic acid, 4-methylphenyl ester

Base Information

• Chemical Name: Formic acid, 4-methylphenyl ester
• CAS No.: 1864-97-7
• Molecular Formula: C8H8 O2
• Molecular Weight: 136.15
• Hs Code.: 2915120000
• European Community (EC) Number: 217-472-0
• DSSTox Substance ID: DTXSID3062025
• Nikkaji Number: J183.093G
• Wikidata: Q63409855
• Mol file: 1864-97-7.mol

Synonyms:(4-methylphenyl) formate;Formic acid, 4-methylphenyl ester;1864-97-7;p-Cresyl formate;4-Methylphenyl formate;EINECS 217-472-0;p-tolyl formate;SCHEMBL95902;DTXSID3062025;Q63409855

Chemical Property of Formic acid, 4-methylphenyl ester

Chemical Property:

• Vapor Pressure: 0.675mmHg at 25°C
• Melting Point: 112 °C
• Boiling Point: 192.6°Cat760mmHg
• Flash Point: 67.5°C
• PSA: 26.30000
• Density: 1.071g/cm³
• LogP: 2.16610
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 136.052429494
• Heavy Atom Count: 10
• Complexity: 104

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)OC=O

Technology Process of Formic acid, 4-methylphenyl ester

There total 18 articles about Formic acid, 4-methylphenyl ester 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: 91.0%

formic acid (64-18-6) + p-cresol (106-44-5) → p-tolyl formate (1864-97-7)

Guidance literature:

formic acid; With acetic anhydride; at 20 - 60 ℃; Inert atmosphere;

p-cresol; With sodium hydrogencarbonate; at 20 ℃; Inert atmosphere;

DOI:10.1002/adsc.201000750

Reference yield: 73.0%

p-cresol (106-44-5) + Hex-1-en-2-yl formate (134965-38-1) → p-tolyl formate (1864-97-7)

Guidance literature:

With 1H-imidazole; In acetonitrile; at 40 ℃; for 30h;

Reference yield: 65.0%

4-methyl-benzaldehyde (104-87-0) → p-tolyl formate (1864-97-7)

Guidance literature:

With water; difluoro[4-(trifluoromethyl)phenyl]-λ³-bromane; In dichloromethane; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ja104330g

upstream raw materials:

formic acid

p-cresol

Hex-1-en-2-yl formate

m-nitrophenyl formate

Downstream raw materials:

(E)-4-methoxyphenyl 2,3-diphenyl acrylate

4-methoxyphenyl formate

4-methoxy-phenol

p-cresyl benzoate