METHYL HEPTADECANOATE

Base Information

• Chemical Name: METHYL HEPTADECANOATE
• CAS No.: 1731-92-6
• Molecular Formula: C18H36O2
• Molecular Weight: 284.483
• Hs Code.: 2915 90 70
• European Community (EC) Number: 217-055-3
• NSC Number: 97364
• UNII: 41PZK7H0KL
• DSSTox Substance ID: DTXSID3061924
• Nikkaji Number: J144I
• Wikidata: Q24735110
• Metabolomics Workbench ID: 4118
• Mol file: 1731-92-6.mol

Synonyms:Margaricacid methyl ester;Methyl heptadecanoate;Methyl margarate;NSC 97364;

Chemical Property of METHYL HEPTADECANOATE

Chemical Property:

• Vapor Pressure: 0.000107mmHg at 25°C
• Melting Point: 29.8-30.3 °C(lit.)
• Refractive Index: 1.442
• Boiling Point: 337.1 °C at 760 mmHg
• Flash Point: 161.2 °C
• PSA: 26.30000
• Density: 0.864 g/cm³
• LogP: 6.03080
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 8.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 284.271530387
• Heavy Atom Count: 20
• Complexity: 202

Purity/Quality:

98%, ^*data from raw suppliers

Methyl heptadecanoate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Esters, Other
• Canonical SMILES: CCCCCCCCCCCCCCCCC(=O)OC
• Uses: Methyl heptadecanoate was used as an internal standard in the determination of traces of cyclic fatty acid monomers (CFAM) in oils and animal tissues quantitation of plasma free fatty acids. Intermediate in organic synthesis.

Technology Process of METHYL HEPTADECANOATE

There total 25 articles about METHYL HEPTADECANOATE 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: 100.0%

methyl heptadeca-3,7,11,16-tetraenoate (119595-29-8) → methyl margarate (1731-92-6)

Guidance literature:

With hydrogen; platinum(IV) oxide; In hexane; at 50 ℃; for 4h; under 22800 Torr;

DOI:10.1021/jo00271a045

Reference yield: 87.0%

methanol (67-56-1) + β-1,2,3-tris(heptadecanoyl)glycerol (2438-40-6) → methyl margarate (1731-92-6)

Guidance literature:

With C₃₀H₄₂N₂; potassium tert-butylate; In tetrahydrofuran; at 20 ℃; for 8h; Molecular sieve;

DOI:10.1021/acs.orglett.6b00835

Reference yield:

cis-Octadecenoic acid (112-80-1,2027-47-6) → octadecan-2-one (7373-13-9) + Decan-2-one (693-54-9) + methyl margarate (1731-92-6) + undecylbenzene (6742-54-7)

Guidance literature:

With mesoporous HZSM-5 zeolite; at 500 ℃;

DOI:10.1016/j.apcata.2019.02.011

upstream raw materials:

diazomethane

heptadecanoic acid

methanol

1-diazo-2-heptadecanone

Downstream raw materials:

1-Heptadecanol

1-(benzotriazol-1-yl)-1-pyrrolyl-2-octadecanone p-tosylhydrazone

21-octadecanoyloxy-11β,17α-dihydroxypregn-4-en-3,20-dione

chimyl alcohol

Refernces

• 1、 Kovács, Ervin,Sághy, Péter,Turczel, Gábor,Tóth, Imre,Lendvay, Gy?rgy,Domján, Attila,Anastas, Paul T.,Tuba, Róbert. "Metathesis of renewable polyene feedstocks – Indirect evidences of the formation of catalytically active ruthenium allylidene species". supporting information. p. 213 - 217. Retrieved 2017/09/12.
• 2、 Blümel, Marcus,Noy, Janina-Miriam,Enders, Dieter,Stenzel, Martina H.,Nguyen, Thanh V.. "Development and Applications of Transesterification Reactions Catalyzed by N-Heterocyclic Olefins". supporting information. p. 2208 - 2211. Retrieved 2016/06/01.