cis-12-Octadecenoic acid methyl ester

Base Information

• Chemical Name: cis-12-Octadecenoic acid methyl ester
• CAS No.: 2733-86-0
• Molecular Formula: C19H36 O2
• Molecular Weight: 296.494
• Hs Code.: 2916190090
• DSSTox Substance ID: DTXSID70514104
• Nikkaji Number: J187.510H
• Wikidata: Q63409474
• Mol file: 2733-86-0.mol

Synonyms:2733-86-0;CIS-12-OCTADECENOIC ACID METHYL ESTER;methyl (Z)-octadec-12-enoate;Methyl (12Z)-octadec-12-enoate;METHYL CIS-12-OCTADECENOATE;(Z)-12-Octadecenoic acid methyl ester;Methyl 12(Z)-Octadecenoate;SCHEMBL23918136;DTXSID70514104;CHEBI:167731;AKOS024386328;NS00096472;J-016741;Q63409474

Chemical Property of cis-12-Octadecenoic acid methyl ester

Chemical Property:

• Flash Point: -4 °C
• PSA: 26.30000
• LogP: 6.19690
• Storage Temp.: −20°C
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 296.271530387
• Heavy Atom Count: 21
• Complexity: 246

Purity/Quality:

≥99% ^*data from raw suppliers

cis-12-Octadecenoic Acid methyl ester ≥96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn,N
• Hazard Codes: F,Xn,N
• Statements: 11-38-50/53-65-67
• Safety Statements: 9-16-29-33-60-61-62

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CCCCCCCCCCCC(=O)OC
• Isomeric SMILES: CCCCC/C=C\CCCCCCCCCCC(=O)OC

Technology Process of cis-12-Octadecenoic acid methyl ester

There total 1 articles about cis-12-Octadecenoic acid methyl ester 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:

Methyl linoleate (112-63-0) → Methyl oleate (112-62-9) + methyl (9E)-octadec-9-enoate (2462-84-2) + Methyl stearate (112-61-8) + cis-12-octadecenoic acid methyl ester (2733-86-0)

Guidance literature:

With hydrogen; bis(acetylacetonate)nickel(II); triethylaluminum; In cyclohexane; at 25 ℃; under 1197.1 Torr; Product distribution; Rate constant; other fatty acid esters, var. temp. and pressures;

DOI:10.1135/cccc19922593

upstream raw materials:

Methyl linoleate

Refernces