Bis(2-octyldodecyl) adipate

Base Information

• Chemical Name: Bis(2-octyldodecyl) adipate
• CAS No.: 85117-94-8
• Molecular Formula: C46H90 O4
• Molecular Weight: 707.218
• European Community (EC) Number: 285-645-8
• UNII: 9MV77C2BPI
• DSSTox Substance ID: DTXSID901005511
• Nikkaji Number: J309.739K
• Wikidata: Q27272756
• Mol file: 85117-94-8.mol

Synonyms:Bis(2-octyldodecyl) adipate;Dioctyldodecyl Adipate;85117-94-8;bis(2-octyldodecyl) hexanedioate;UNII-9MV77C2BPI;EINECS 285-645-8;9MV77C2BPI;Hexanedioic acid, bis(2-octyldodecyl) ester;bis-(2-Octyldodecyl) adipate;MACKADERM DDA;DUB DODA;Bis-(2-octyldodecyl)adipate;Di-2-octyl-1-dodecyl adipate;SCHEMBL9811940;DTXSID901005511;DIOCTYLDODECYL ADIPATE [INCI];ADIPIC ACID, DIOCTYLDODECYL DIESTER;Hexanedioic acid bis(2-octyldodecyl) ester;Q27272756;HEXANEDIOIC ACID, 1,6-BIS(2-OCTYLDODECYL) ESTER

Chemical Property of Bis(2-octyldodecyl) adipate

Chemical Property:

• Vapor Pressure: 3.17E-15mmHg at 25°C
• Boiling Point: 618.5°C at 760 mmHg
• Flash Point: 277.4°C
• PSA: 52.60000
• Density: 0.888g/cm³
• LogP: 15.42840
• XLogP3: 19.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 43
• Exact Mass: 706.68391135
• Heavy Atom Count: 50
• Complexity: 634

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC

Technology Process of Bis(2-octyldodecyl) adipate

There total 2 articles about Bis(2-octyldodecyl) 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:

Adipic acid (124-04-9) + 2-octyldodecan-1-ol (5333-42-6,8039-11-0) → di(2-octyldodecyl) hexanedioate (85117-94-8)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; at 120 ℃; Dean-Stark;

DOI:10.1007/s11746-014-2484-4

Reference yield:

1-Decanol (112-30-1) → di(2-octyldodecyl) hexanedioate (85117-94-8)

Guidance literature:

Multi-step reaction with 2 steps

1: heptanal; potassium hydroxide / 6 h / 230 - 245 °C / 760 Torr / Dean-Stark

2: toluene-4-sulfonic acid / toluene / 120 °C / Dean-Stark

With heptanal; toluene-4-sulfonic acid; potassium hydroxide; In toluene; 1: |Guerbet Reaction;

DOI:10.1007/s11746-014-2484-4

upstream raw materials:

Adipic acid

2-octyldodecan-1-ol

1-Decanol

Refernces