Dicyclohexyl adipate

Base Information

• Chemical Name: Dicyclohexyl adipate
• CAS No.: 849-99-0
• Molecular Formula: C18H30 O4
• Molecular Weight: 310.434
• Hs Code.: 2917120090
• European Community (EC) Number: 212-702-6
• NSC Number: 4199
• DSSTox Substance ID: DTXSID8061212
• Nikkaji Number: J73.417I
• Wikidata: Q81989367
• ChEMBL ID: CHEMBL1703428
• Mol file: 849-99-0.mol

Synonyms:adipic acid dicyclohexyl ester;dicyclohexyl adipate;hexanedioic acid dicyclohexyl ester

Chemical Property of Dicyclohexyl adipate

Chemical Property:

• Vapor Pressure: 1.1E-06mmHg at 25°C
• Melting Point: 35°C
• Refractive Index: 1.5400 (estimate)
• Boiling Point: 402.4°C at 760 mmHg
• Flash Point: 192.7°C
• PSA: 52.60000
• Density: 1.05g/cm³
• LogP: 4.29860
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 310.21440943
• Heavy Atom Count: 22
• Complexity: 307

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)OC(=O)CCCCC(=O)OC2CCCCC2

Technology Process of Dicyclohexyl adipate

There total 11 articles about Dicyclohexyl 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: 73.0%

carbon monoxide (201230-82-2) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) + cyclohexanol (108-93-0) → dicyclohexyl adipate (849-99-0)

Guidance literature:

With palladium(II) trifluoroacetate; toluene-4-sulfonic acid; 1,2-bis[di(t-butyl)phosphinomethyl]benzene; In toluene; at 120 ℃; for 24h; under 30003 Torr; regioselective reaction; Autoclave; Green chemistry;

DOI:10.1002/anie.202015329

Reference yield:

cyclohexane (110-82-7,25012-93-5) → Adipic acid (124-04-9) + dicyclohexyl adipate (849-99-0) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4)

Guidance literature:

With N-hydroxyphthalimide; bromine; oxygen; 1,10-phenanthroline hydrate; In tetrachloromethane; acetonitrile; at 99.85 ℃; for 5h; under 2250.18 Torr;

DOI:10.1002/adsc.200505183

Reference yield:

cyclohexane (110-82-7,25012-93-5) → Adipic acid (124-04-9) + dicyclohexyl adipate (849-99-0) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + cyclohexanol (108-93-0)

Guidance literature:

With oxygen; at 150 ℃; for 2h; under 7500.75 Torr; Reagent/catalyst; Temperature; Pressure; Catalytic behavior; Autoclave; High pressure;

DOI:10.1016/j.molcata.2015.09.027

upstream raw materials:

diphenyl 1,6-hexanedioate

cyclohexanone

cyclohexanol

Adipic acid

Downstream raw materials:

Adipic acid