Dioctyldodecyl sebacate

Base Information

• Chemical Name: Dioctyldodecyl sebacate
• CAS No.: 69275-01-0
• Molecular Formula: C38H74O4
• Molecular Weight: 594.99176
• UNII: RX83539MQS
• DSSTox Substance ID: DTXSID101021567
• Wikidata: Q27288332
• Mol file: 69275-01-0.mol

Synonyms:DIOCTYLDODECYL SEBACATE;69275-01-0;Bis(2-octyldodecyl) sebacate;RX83539MQS;(+/-)-Dioctyldodecyl sebacate;bis(2-octyldodecyl) decanedioate;DS-2000;UNII-RX83539MQS;Decanedioic acid, bis(2-octyldodecyl) ester;Decanedioic acid, 1,10-bis(2-octyldodecyl) ester;VOKLGPGMRNGCOO-UHFFFAOYSA-N;DTXSID101021567;DIOCTYLDODECYL SEBACATE [INCI];AKOS040751592;Q27288332

Chemical Property of Dioctyldodecyl sebacate

Chemical Property:

• PSA: 52.60000
• LogP: 16.98880
• XLogP3: 22
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 47
• Exact Mass: 762.74651160
• Heavy Atom Count: 54
• Complexity: 689

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dioctyldodecyl sebacate

There total 2 articles about Dioctyldodecyl sebacate 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:

1,10-decanedioic acid (111-20-6,26776-29-4) + 2-octyldodecan-1-ol (5333-42-6,8039-11-0) → di(2-octyldodecyl) decanedioate (69275-01-0)

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) decanedioate (69275-01-0)

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:

1,10-decanedioic acid

2-octyldodecan-1-ol

1-Decanol