Methyl petroselinate

Base Information

• Chemical Name: Methyl petroselinate
• CAS No.: 2777-58-4
• Molecular Formula: C19H36 O2
• Molecular Weight: 296.494
• Hs Code.: 2916190090
• European Community (EC) Number: 220-470-2
• UNII: 774W29LWKQ
• DSSTox Substance ID: DTXSID701315075
• Nikkaji Number: J110.823I
• Wikidata: Q27266547
• Mol file: 2777-58-4.mol

Synonyms:Methyl petroselinate;2777-58-4;Petroselinic acid methyl ester;Methyl cis-6-octadecenoate;Methyl (Z)-octadec-6-enoate;PETROSELINICACIDMETHYLESTER;Methyl 6(Z)-Octadecenoate;UNII-774W29LWKQ;6-Octadecenoic acid, methyl ester, (Z)-;774W29LWKQ;6-Octadecenoic acid, methyl ester, (6Z)-;EINECS 220-470-2;cis-6-Octadecenoic Acid Methyl Ester;Methyl (Z)-6-octadecenoate;SCHEMBL17137615;Methyl (6Z)-6-octadecenoate #;QRTVDKVXAFJVRU-YPKPFQOOSA-N;DTXSID701315075;CAA77758;MFCD00673443;PETROSELENIC ACID METHYL ESTER;cis-6-Octadecenoic acid, methyl ester;HY-W127436;PETROSELINIC ACID, METHYL ESTER;BS-43966;PETROSELINIC ACID METHYL ESTER [MI];CS-0185668;M2306;(Z)-6-OCTADECENOIC ACID METHYL ESTER;Q27266547

Chemical Property of Methyl petroselinate

Chemical Property:

• Vapor Pressure: 1.07E-05mmHg at 25°C
• Melting Point: -1°C(lit.)
• Refractive Index: 1.4501 (589.3 nm 20℃)
• Boiling Point: 370.9°Cat760mmHg
• Flash Point: 92.4°C
• PSA: 26.30000
• Density: 0.873g/cm³
• 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:

98% ^*data from raw suppliers

Methyl cis-6-Octadecenoate >98.0%(GC) ^*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: 16-60-61-62-33-29-9-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Methyl petroselinate

There total 4 articles about Methyl petroselinate 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: 75.0%

methanol (67-56-1) → methyl petroselinate (2777-58-4)

Guidance literature:

DOI:10.1016/S0045-6535(00)00322-2

Reference yield:

Petroselinic acid (593-39-5) + diazomethyl-trimethyl-silane (18107-18-1) → methyl petroselinate (2777-58-4)

Guidance literature:

In methanol; diethyl ether; toluene; at 20 ℃; for 0.5h;

DOI:10.1021/bi300514j

Reference yield:

methyl linoleate (18287-20-2) → methyl petroselinate (2777-58-4) + methyl 6(E)-octadecenoate (14620-36-1) + Methyl oleate (112-62-9) + methyl (9E)-octadec-9-enoate (2462-84-2) + Methyl stearate (112-61-8) + trans-methyl 8-octadecenoate (26528-50-7)

Guidance literature:

With hydrogen; palladium; In ethanol; at 24 ℃; Product distribution; potencial controlled catalytic hydrogenation of other unsaturated fatty acid esters, effects of potential, electrolytes, solvents, double bond distribution;

upstream raw materials:

methanol

Petroselinic acid

methyl linoleate

diazomethyl-trimethyl-silane

Downstream raw materials:

(6Z)-6-octadecen-1-ol

methyl 6(E)-octadecenoate

1-tridecene

methyl hept-6-enoate

Refernces

• 1、 Warwel, Siegfried,Bruese, Falk,Demes, Christoph,Kunz, Michael,Klaas, Mark Ruesch gen. "Polymers and surfactants on the basis of renewable resources". . p. 39 - 48. Retrieved 2007/10/03.