Ethyl ximenynate

Base Information

• Chemical Name: Ethyl ximenynate
• CAS No.: 159534-89-1
• Molecular Formula: C₂₀H₃₄O₂
• Molecular Weight: 306.489
• UNII: MEQ6O2FROG
• DSSTox Substance ID: DTXSID00166675
• Nikkaji Number: J3.130.250A
• Mol file: 159534-89-1.mol

Synonyms:Ethyl ximenynate;Ethyl santalbate;159534-89-1;Eyedren;X-Solve;Ethyl (E)-octadec-11-en-9-ynoate;MEQ6O2FROG;UNII-MEQ6O2FROG;11-Octadecen-9-ynoic acid, ethyl ester, (E)-;11-Octadecen-9-ynoic acid, ethyl ester, (11E)-;ETHYL XIMENYNATE [INCI];DTXSID00166675;ETHYL XIMENYATE [WHO-DD];Q27283981

Chemical Property of Ethyl ximenynate

Chemical Property:

• PSA: 26.30000
• Density: 0.903±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 5.81020
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 306.255880323
• Heavy Atom Count: 22
• Complexity: 343

Purity/Quality:

>95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC=CC#CCCCCCCCC(=O)OCC
• Isomeric SMILES: CCCCCC/C=C/C#CCCCCCCCC(=O)OCC

Technology Process of Ethyl ximenynate

There total 1 articles about Ethyl ximenynate 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:

ethanol (64-17-5) + trans-ximenynic acid (2578-97-4,136145-04-5,557-58-4) → octadec-11t-en-9-ynoic acid ethyl ester (159534-89-1)

Guidance literature:

With sulfuric acid;

upstream raw materials:

ethanol

trans-ximenynic acid