Allyl myristate

Base Information

• Chemical Name: Allyl myristate
• CAS No.: 45236-96-2
• Molecular Formula: C17H32 O2
• Molecular Weight: 268.44
• Hs Code.: 2915900090
• European Community (EC) Number: 256-211-5
• DSSTox Substance ID: DTXSID30196445
• Nikkaji Number: J319.957F
• Wikidata: Q83069484
• ChEMBL ID: CHEMBL2229589
• Mol file: 45236-96-2.mol

Synonyms:Allyl myristate;45236-96-2;ALLYL TETRADECANOATE;prop-2-enyl tetradecanoate;EINECS 256-211-5;SCHEMBL44611;5-allyl-5-ethylbarbituricacid;CHEMBL2229589;DTXSID30196445;FFXFQWSEFSLIKK-UHFFFAOYSA-N;Tetradecanoic acid 2-propenyl ester;FT-0639847

Chemical Property of Allyl myristate

Chemical Property:

• Vapor Pressure: 8.73E-05mmHg at 25°C
• Boiling Point: 156-157°C 4mm
• Flash Point: 148.3°C
• PSA: 26.30000
• Density: 0.872g/cm³
• LogP: 5.41670
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 268.240230259
• Heavy Atom Count: 19
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

ALLYL MYRISTATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC(=O)OCC=C

Technology Process of Allyl myristate

There total 5 articles about Allyl myristate 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: 99.0%

1,3-dichloro-2-propyl tetradecanoate + butanone (78-93-3) → allyl tetradecanoate (45236-96-2)

Guidance literature:

With sodium iodide; at 115 ℃; for 48h;

DOI:10.1021/jf900097j

Reference yield:

n-tetradecanoic acid (544-63-8) + allyl alcohol (107-18-6) → allyl tetradecanoate (45236-96-2)

Guidance literature:

With naphthalene-2-sulfonate; benzene; unter Abdestillieren des entstandenen Wassers;

Reference yield:

n-tetradecanoic acid (544-63-8) → allyl tetradecanoate (45236-96-2)

Guidance literature:

Multi-step reaction with 2 steps

1: thioyl chloride / 2 h / Heating

2: 4.7 g / pyridine / 0.17 h / Ambient temperature

With pyridine; thionyl chloride;

upstream raw materials:

n-tetradecanoic acid

allyl alcohol

tetradecanoyl chloride

butanone

Downstream raw materials:

oxiran-2-ylmethyl tetradecanoate

1-monoglyceride myristic acid

Refernces

• 1、 Escriba, Marc,Barbut, Montserrat,Eras, Jordi,Canela, Ramon,Avilla, Jesus,Balcells, Merge. "Synthesis of allyl esters of fatty acids and their ovicidal effect on Cydia pomonella (L.)". experimental part. p. 4849 - 4853. Retrieved 2010/06/14.