2-Hexyldecyl oleate

Base Information

• Chemical Name: 2-Hexyldecyl oleate
• CAS No.: 94278-07-6
• Molecular Formula: C34H66 O2
• Molecular Weight: 506.897
• European Community (EC) Number: 304-693-3
• UNII: L6M5K07PRP
• DSSTox Substance ID: DTXSID701021246
• Nikkaji Number: J326.372J
• Mol file: 94278-07-6.mol

Synonyms:Hexyldecyl Oleate;2-Hexyldecyl oleate;94278-07-6;UNII-L6M5K07PRP;L6M5K07PRP;2-hexyldecyl (Z)-octadec-9-enoate;EINECS 304-693-3;9-Octadecenoic acid (9Z)-, 2-hexyldecyl ester;2- hexyldecyl oleate;SCHEMBL8956657;HEXYLDECYL OLEATE [INCI];(+/-)-HEXYLDECYL OLEATE;DTXSID701021246;HEXYLDECYL OLEATE, (+/-)-;(Z)-9-Octadecenoic acid 2-hexyldecyl ester;9-OCTADECENOIC ACID (Z)-, 2-HEXYLDECYL ESTER;Q27282779

Chemical Property of 2-Hexyldecyl oleate

Chemical Property:

• Vapor Pressure: 9.96E-13mmHg at 25°C
• Boiling Point: 563.6°Cat760mmHg
• Flash Point: 56.1°C
• PSA: 26.30000
• Density: 0.863g/cm³
• LogP: 11.90430
• XLogP3: 15.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 30
• Exact Mass: 506.50628134
• Heavy Atom Count: 36
• Complexity: 456

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(CCCCCC)CCCCCCCC
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CCCCCC)CCCCCCCC

Technology Process of 2-Hexyldecyl oleate

There total 3 articles about 2-Hexyldecyl 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: 60.0%

→ 2-hexyldecyl 9(Z)-octadecenoate (94278-07-6)

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-hexyldecan-1-ol (2425-77-6) → 2-hexyldecyl 9(Z)-octadecenoate (94278-07-6)

Guidance literature:

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

DOI:10.1007/s11746-014-2484-4

Reference yield:

octanol (111-87-5) → 2-hexyldecyl 9(Z)-octadecenoate (94278-07-6)

Guidance literature:

Multi-step reaction with 2 steps

1: heptanal; potassium hydroxide / 9 h / 195 - 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:

octanol

cis-Octadecenoic acid

2-hexyldecan-1-ol

Refernces

• 1、 Waykole, Chetan,Bhowmick, Diptinarayan,Pratap, Amit. "Synthetic base stock based on Guerbet alcohols". . p. 1407 - 1416. Retrieved 2014/08/18.