2-Octyldodecyl oleate

Base Information

• Chemical Name: 2-Octyldodecyl oleate
• CAS No.: 22801-45-2
• Molecular Formula: C₃₈H₇₄O₂
• Molecular Weight: 563.004
• European Community (EC) Number: 245-228-3
• UNII: MCA43PK7MH
• DSSTox Substance ID: DTXSID401010286
• Nikkaji Number: J60.761D
• Wikidata: Q27283854
• RXCUI: 1483232
• Mol file: 22801-45-2.mol

Synonyms:2-Octyldodecyl oleate;Octyldodecyl oleate;22801-45-2;2-octyldodecyl (Z)-octadec-9-enoate;9-Octadecenoic acid, 2-octyldodecyl ester;UNII-MCA43PK7MH;MCA43PK7MH;Oleic acid, 2-octyldodecyl ester;EINECS 245-228-3;9-Octadecenoic acid (9Z)-, 2-octyldodecyl ester;2- octyldodecyl oleate;SCHEMBL247506;Oleic acid, octyldodecyl ester;Oleic acid 2-octyldodecyl ester;DTXSID401010286;OCTYLDODECYL OLEATE [INCI];(+/-)-2-OCTYLDODECYL OLEATE;2-OCTYLDODECYL OLEATE, (+/-)-;9-Octadecenoic acid (Z)-, 2-octyldodecyl ester;Q27283854

Chemical Property of 2-Octyldodecyl oleate

Chemical Property:

• Vapor Pressure: 9.78E-15mmHg at 25°C
• Boiling Point: 608.2°C at 760 mmHg
• Flash Point: 40.5°C
• PSA: 26.30000
• Density: 0.861g/cm³
• LogP: 13.46470
• XLogP3: 17.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 34
• Exact Mass: 562.56888160
• Heavy Atom Count: 40
• Complexity: 512

Purity/Quality:

99% ^*data from raw suppliers

2-OctyldodecylOleate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC
• Isomeric SMILES: CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
• Uses: 2-Octyldodecyl Oleate is a fatty acid ester, used as a cosmetic skin base.

Technology Process of 2-Octyldodecyl oleate

There total 3 articles about 2-Octyldodecyl oleate 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: 59.0%

→ 2-octyldodecyl 9(Z)-octadecenoate (22801-45-2)

Guidance literature:

With Novozym 435; at 50 ℃; for 24h; Molecular sieve; Enzymatic reaction;

Reference yield:

cis-Octadecenoic acid (112-80-1,2027-47-6) + 2-octyldodecan-1-ol (5333-42-6,8039-11-0) → 2-octyldodecyl 9(Z)-octadecenoate (22801-45-2)

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) → 2-octyldodecyl 9(Z)-octadecenoate (22801-45-2)

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-Decanol

cis-Octadecenoic acid

2-octyldodecan-1-ol