Methyl 14-methylheptadecanoate

Base Information

• Chemical Name: Methyl 14-methylheptadecanoate
• CAS No.: 2490-49-5
• Molecular Formula: C₁₈H₃₆O₂
• Molecular Weight: 284.483
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID60274588
• Nikkaji Number: J108.356B
• Mol file: 2490-49-5.mol

Synonyms:METHYL 14-METHYLHEPTADECANOATE;Heptadecanoic acid, 14-methyl-, methyl ester;2490-23-5;DTXSID60274588;IAHAMDDIZJPOGW-UHFFFAOYSA-N;14-Methylheptadecanoic acid methyl ester

Chemical Property of Methyl 14-methylheptadecanoate

Chemical Property:

• Vapor Pressure: 0.000215mmHg at 25°C
• Boiling Point: 340.7°Cat760mmHg
• Flash Point: 162.2°C
• PSA: 26.30000
• Density: 0.862g/cm³
• LogP: 5.88670
• Storage Temp.: −20°C
• XLogP3: 8.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 298.287180451
• Heavy Atom Count: 21
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

14-methyl Palmitic Acid methyl ester ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)CCCCCCCCCCCCC(=O)OC
• Description: 14-methyl Palmitic acid methyl ester is a methylated fatty acid methyl ester that has been found in A. indica leaf extract, S. alboflavus TD-1, and as a minor component in biodiesel produced from C. sorokiniana microalgae. It is a volatile compound released by maize that reduces growth of F. verticillioides in a concentration-dependent manner. 14-methyl Palmitic acid methyl ester has been used as a standard for the quantification of 14-methyl palmitic acid in various foods by GC-MS. [Matreya, LLC. Catalog No. 1614]

Technology Process of Methyl 14-methylheptadecanoate

There total 3 articles about Methyl 14-methylheptadecanoate 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:

methanol (67-56-1) + (S)-(+)-14-methylhexadecanoic acid (5746-59-8) → (S)-(+)-14-methylhexadecanoic acid methyl ester (2490-49-5)

Guidance literature:

With hydrogenchloride;

Reference yield:

methyl ester of azelaic acid aldehyde (1931-63-1) → (S)-(+)-14-methylhexadecanoic acid methyl ester (2490-49-5)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / anschliessend Behandeln mit PBr₃ und mit alkoholische KOH und Hydrieren in Gegenwart von Platinoxyd

2: H₂SO₄

With diethyl ether; sulfuric acid;

Reference yield:

methyl ethyl caproic acid (504-99-4) + sebacic acid mono methyl ester (818-88-2) → 14-methylhexadecanoic acid methyl ester (2490-49-5)

Guidance literature:

(electrolysis);

upstream raw materials:

methanol

(S)-(+)-14-methylhexadecanoic acid

methyl ester of azelaic acid aldehyde

methyl ethyl caproic acid