1,2-Phenylene diisopropanoate

Base Information

• Chemical Name: 1,2-Phenylene diisopropanoate
• CAS No.: 7402-27-9
• Molecular Formula: C12H14 O4
• Molecular Weight: 222.2372
• NSC Number: 406756,55129
• DSSTox Substance ID: DTXSID30995319
• Wikidata: Q82986685
• Mol file: 7402-27-9.mol

Synonyms:7402-27-9;NSC55129;1,2-Phenylene dipropanoate;1,2-phenylene diisopropanoate;SCHEMBL8435546;DTXSID30995319;RTNUFARDHKRTRJ-UHFFFAOYSA-N;NSC-55129;NSC406756;NSC-406756

Chemical Property of 1,2-Phenylene diisopropanoate

Chemical Property:

• Vapor Pressure: 0.000433mmHg at 25°C
• Boiling Point: 315.6°Cat760mmHg
• Flash Point: 153.6°C
• Density: 1.124g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 223

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OC1=CC=CC=C1OC(=O)CC

Technology Process of 1,2-Phenylene diisopropanoate

There total 1 articles about 1,2-Phenylene diisopropanoate 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:

propionyl chloride (79-03-8) + benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 1,2-bis(propanoyloxy)benzene (7402-27-9)

Guidance literature:

Reference yield: 20.0%

1,2-bis(propanoyloxy)benzene (7402-27-9) → catechol monopropanoate (131625-34-8)

Guidance literature:

With porcine pancreatic lipase; In benzene; at 28 - 30 ℃; for 2h;

DOI:10.1016/0960-894X(96)00411-8

upstream raw materials:

propionyl chloride

benzene-1,2-diol

Downstream raw materials:

catechol monopropanoate