1-Carboxyethyl oleate

Base Information

• Chemical Name: 1-Carboxyethyl oleate
• CAS No.: 45290-16-2
• Molecular Formula: C₂₁H₃₈O₄
• Molecular Weight: 354.53
• European Community (EC) Number: 256-219-9
• DSSTox Substance ID: DTXSID201294769
• Nikkaji Number: J322.153I
• Mol file: 45290-16-2.mol

Synonyms:1-Carboxyethyl oleate;EINECS 256-219-9;45290-16-2;9-Octadecenoic acid, 1-carboxyethyl ester, (Z)-;SCHEMBL23397747;DTXSID201294769;FAHFA 18:1/3:0;1-Carboxyethyl (9Z)-9-octadecenoate;2-[[(Z)-1-Oxo-9-octadecenyl]oxy]propionic acid

Chemical Property of 1-Carboxyethyl oleate

Chemical Property:

• Vapor Pressure: 3.99E-10mmHg at 25°C
• Boiling Point: 469.8°C at 760 mmHg
• Flash Point: 150.6°C
• PSA: 63.60000
• Density: 0.965g/cm³
• LogP: 6.04020
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 18
• Exact Mass: 354.27700969
• Heavy Atom Count: 25
• Complexity: 363

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)OC(C)C(=O)O
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC(C)C(=O)O

Technology Process of 1-Carboxyethyl oleate

There total 1 articles about 1-Carboxyethyl 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: 71.0%

L-Lactic acid (79-33-4,106989-11-1,26811-96-1,31587-11-8,26100-51-6) + cis-Octadecenoic acid (112-80-1,2027-47-6) → (S,Z)-2-(oleoyloxy)propanoic acid (45290-16-2)

Guidance literature:

cis-Octadecenoic acid; With 1,2,3-Benzotriazole; dicyclohexyl-carbodiimide; In tetrahydrofuran; for 16h; Inert atmosphere;

L-Lactic acid; With dmap; In tetrahydrofuran; at 20 ℃; for 40h; Cooling with ice; Inert atmosphere;

Reference yield:

(S,Z)-2-(oleoyloxy)propanoic acid (45290-16-2) → (S)-2-(((S)-2-(oleoyloxy)propanoyl)oxy)propanoic acid (93777-89-0)

Guidance literature:

Multi-step reaction with 2 steps

1: dicyclohexyl-carbodiimide / tetrahydrofuran / 1.5 h / Inert atmosphere

2: dmap; pyridine / tetrahydrofuran / 64 h / 50 °C / Inert atmosphere

With pyridine; dmap; dicyclohexyl-carbodiimide; In tetrahydrofuran;

upstream raw materials:

L-Lactic acid

cis-Octadecenoic acid

Downstream raw materials:

(S)-2-(((S)-2-(oleoyloxy)propanoyl)oxy)propanoic acid