Diphenyl adipate

Base Information

• Chemical Name: Diphenyl adipate
• CAS No.: 3195-37-7
• Molecular Formula: C18H18 O4
• Molecular Weight: 298.339
• Hs Code.: 2917120090
• DSSTox Substance ID: DTXSID10335714
• Nikkaji Number: J802.665C
• Wikidata: Q82102302
• Mol file: 3195-37-7.mol

Synonyms:Diphenyl adipate;Diphenyl hexanedioate;3195-37-7;Adipic acid, diphenyl ester;Diphenyl hexanedioate #;Adipic acid diphenyl ester;SCHEMBL43233;DTXSID10335714;AS-56714;FT-0700764;D93067

Chemical Property of Diphenyl adipate

Chemical Property:

• Melting Point: 105.5-106 °C
• Boiling Point: 444.5±28.0 °C(Predicted)
• PSA: 52.60000
• Density: 1.153±0.06 g/cm3(Predicted)
• LogP: 3.75800
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 298.12050905
• Heavy Atom Count: 22
• Complexity: 307

Purity/Quality:

98% ^*data from raw suppliers

DIPHENYL ADIPATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC(=O)CCCCC(=O)OC2=CC=CC=C2

Technology Process of Diphenyl adipate

There total 10 articles about Diphenyl adipate 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: 96.0%

Adipic acid dichloride (111-50-2) + acetyl chloride (75-36-5) → diphenyl 1,6-hexanedioate (3195-37-7)

Guidance literature:

With tetrabutyl-ammonium chloride; sodium hydroxide; In dichloromethane; water; at 0 ℃; for 0.0833333h;

DOI:10.1080/00397911.2011.584007

Reference yield: 79.0%

bis(phenyl) carbonate (102-09-0) + Adipic acid (124-04-9) → diphenyl 1,6-hexanedioate (3195-37-7)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In neat (no solvent); at 160 ℃; for 24h; Green chemistry;

DOI:10.1039/c5ra10206e

Reference yield: 44.0%

Adipic acid (124-04-9) + phenol (108-95-2,27073-41-2) → diphenyl 1,6-hexanedioate (3195-37-7) + adipic acid monophenyl ester (20166-63-6)

Guidance literature:

sulfuric acid; In toluene; for 30h; Heating;

upstream raw materials:

adipic anhydride

phenol

Adipic acid dichloride

Adipic acid

Downstream raw materials:

dicyclohexyl adipate

1,6-bis(4'-hydroxyphenyl)-1,6-hexanedione

N-phenylazepane

1,6-bis(4-hydroxyphenyl)hexane