Diallyl terephthalate

Base Information

• Chemical Name: Diallyl terephthalate
• CAS No.: 1026-92-2
• Deprecated CAS: 154204-78-1,163447-36-7,163447-36-7
• Molecular Formula: C14H14O4
• Molecular Weight: 246.263
• Hs Code.: 2917399090
• European Community (EC) Number: 213-835-2
• NSC Number: 5463
• DSSTox Substance ID: DTXSID9061419
• Nikkaji Number: J60.944G
• Wikidata: Q81989460
• Mol file: 1026-92-2.mol

Synonyms:Diallyl terephthalate;1026-92-2;bis(prop-2-enyl) benzene-1,4-dicarboxylate;1,4-Benzenedicarboxylic acid, di-2-propenyl ester;Terephthalic acid, diallyl ester;Diallyl terethiolate;Terephthalic Acid Diallyl Ester;1,4-Benzenedicarboxylic acid, 1,4-di-2-propen-1-yl ester;NSC 5463;EINECS 213-835-2;AI3-09510;1,4-bis(prop-2-en-1-yl) benzene-1,4-dicarboxylate;DIALLYLTEREPHTHALATE;Terephthalic acid diallyl;SCHEMBL175786;DTXSID9061419;NSC5463;TEREPHTHALICACIDDIALLYLESTER;Diallyl ester of terephthalic acid;BAA02692;NSC-5463;MFCD00080462;AKOS015916030;AS-70058;CS-0157982;FT-0624606;T1483;E81956;A896727

Chemical Property of Diallyl terephthalate

Chemical Property:

• Vapor Pressure: 4.56E-05mmHg at 25°C
• Refractive Index: 1.524
• Boiling Point: 349.898 °C at 760 mmHg
• Flash Point: 171.336 °C
• PSA: 52.60000
• Density: 1.112 g/cm³
• LogP: 2.37220
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 246.08920892
• Heavy Atom Count: 18
• Complexity: 282

Purity/Quality:

99% , ^*data from raw suppliers

Diallyl Terephthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC(=O)C1=CC=C(C=C1)C(=O)OCC=C
• Uses: Diallyl Terephthalate is used as a plasticizer. Also used in the preparation of organotin polymers.

Technology Process of Diallyl terephthalate

There total 4 articles about Diallyl terephthalate 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:

allyl alcohol (107-18-6) + terephthaloyl chloride (100-20-9) → diallyl terephthalate (1026-92-2)

Guidance literature:

DOI:10.1002/pol.1955.120188902

Reference yield:

1,4-benzenedicarboxylic acid dimethyl ester (120-61-6) → diallyl terephthalate (1026-92-2)

Guidance literature:

Reference yield:

terephthalic acid (100-21-0) + allyl bromide (106-95-6) → diallyl terephthalate (1026-92-2)

Guidance literature:

With potassium hydroxide; tetrabutylammomium bromide; Yield given. Multistep reaction; 1.) 60 deg C, 0.1 Torr, 6 h, 2.) 85 deg C, 60 h;

DOI:10.1055/s-1985-31098

upstream raw materials:

allyl alcohol

terephthaloyl chloride

terephthalic acid

allyl bromide

Downstream raw materials:

Terephthalic acid 1-allyl ester 4-[3-(chloro-dimethyl-silanyl)-propyl] ester

Terephthalic acid 1-allyl ester 4-[3-(methoxy-dimethyl-silanyl)-propyl] ester

terephthalic acid diglycidyl ester

allyl alcohol

Refernces

• 1、 -. "Di(aromatic) compounds and their use in human and veterinary medicine and in cosmetics". . . Retrieved 2008/06/13.
• 2、 -. "Method for producing diallyl ester of aromatic dicarboxylic acid". . . Retrieved 2008/06/13.