Methyl pentadecanoate

Base Information

• Chemical Name: Methyl pentadecanoate
• CAS No.: 7132-64-1
• Molecular Formula: C16H32O2
• Molecular Weight: 256.429
• Hs Code.: 2915900090
• European Community (EC) Number: 273-095-1,230-430-6
• UNII: 8K0ZV6FAIZ
• DSSTox Substance ID: DTXSID4040769
• Nikkaji Number: J623H
• Wikidata: Q27270652
• Metabolomics Workbench ID: 125280
• ChEMBL ID: CHEMBL1900809
• Mol file: 7132-64-1.mol

Synonyms:METHYL PENTADECANOATE;7132-64-1;Pentadecanoic acid, methyl ester;Pentadecanoic acid methyl ester;Methyl n-pentadecanoate;n-Pentadecanoic acid methyl ester;UNII-8K0ZV6FAIZ;MFCD00008989;8K0ZV6FAIZ;pentadecanoic acid-methyl ester;EINECS 230-430-6;EINECS 273-095-1;68937-84-8;AI3-36452;68060-02-6;pentadecanoic acid methyl;Methyl pentadecanoate, 98%;SCHEMBL246530;CHEMBL1900809;DTXSID4040769;CDAA-251015M;CHEBI:142657;Methyl pentadecanoate, >=98.5%;Pentanedecanoic acid, methyl ester;STL454743;AKOS002676182;CS-W004289;HY-W004289;NCGC00164331-01;AS-57591;Methyl pentadecanoate, analytical standard;SY051773;FT-0636359;P0869;H10934;A914605;Q27270652;93612FD5-1EFF-4869-9B03-8B8BAD63EE28

Chemical Property of Methyl pentadecanoate

Chemical Property:

• Melting Point: 18-19oC(lit.)
• Refractive Index: n20/D 1.438(lit.)
• Boiling Point: 141-142°C3mm Hg(lit.)
• Flash Point: >230°F
• PSA: 26.30000
• Density: 0.865g/mLat 20°C
• LogP: 5.25060
• Storage Temp.: room temp
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 256.240230259
• Heavy Atom Count: 18
• Complexity: 178

Purity/Quality:

98%, ^*data from raw suppliers

Methyl pentadecanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCC(=O)OC
• Uses: Intermediate in organic synthesis, reagent med-ical research. Methyl Pentadecanoate is found in roasted dried squid aroma as well as beef fat during heating.

Technology Process of Methyl pentadecanoate

There total 28 articles about Methyl pentadecanoate 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: 90.0%

methanol (67-56-1) + 1-tetradecene (1120-36-1) + carbon monoxide (201230-82-2) → pentadecanoic acid methyl ester (7132-64-1) + methyl 2-methyltetradecanoate (55554-09-1) + dimethyl 2-dodecylsuccinate (1472-86-2)

Guidance literature:

With oxygen; copper(l) chloride; palladium dichloride; In tetrahydrofuran; at 25 ℃; for 168h; under 760 Torr; Yields of byproduct given;

DOI:10.1246/bcsj.64.3600

Reference yield: 89.0%

methanol (67-56-1) + 1-tetradecene (1120-36-1) + carbon monoxide (201230-82-2) → pentadecanoic acid methyl ester (7132-64-1)

Guidance literature:

With P(p-CH₃OC₆H₄)3; lithium chloride; tin(ll) chloride; palladium dichloride; In 1,2-dimethoxyethane; at 110 ℃; for 22h; under 18100.7 Torr; regioselective reaction; Autoclave;

DOI:10.1021/acs.joc.5b00851

Reference yield: 89.0%

1-Iodododecane (4292-19-7) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → pentadecanoic acid methyl ester (7132-64-1)

Guidance literature:

With air; triethyl borane; Bu₂Ge(OEt)H; In tetrahydrofuran; hexane; at 20 ℃;

DOI:10.1055/s-2005-921927

upstream raw materials:

methanol

palmitic acid

diazomethane

4-carbonyloxybutyryl dodecanoyl peroxide

Downstream raw materials:

1-Tetradecanol

tetradecyl mesylate

N-(2-hydroxyethyl)pentadecanamide

hexadecan-2-one

Refernces

• 1、 Mukhtar, Naveen,Iqbal, Kiran,Anis, Itrat,Malik, Abdul. "Sphingolipids from Conyza canadensis.". . p. 1005 - 1008. Retrieved 2002.
• 2、 Komeyama, Kimihiro,Michiyuki, Takuya,Teshima, Yoshikazu,Osaka, Itaru. "Visible light-driven Giese reaction with alkyl tosylates catalysed by nucleophilic cobalt". . p. 3539 - 3546. Retrieved 2021/02/03.
• 3、 -. "Glycolipids produced by a Marine-derived Bacillus licheniformis". Paragraph 0040. . Retrieved 2017/06/09.