(Z)-3,7-Dimethyl-2,6-octadienyl octanoate

Base Information

• Chemical Name: (Z)-3,7-Dimethyl-2,6-octadienyl octanoate
• CAS No.: 71648-18-5
• Molecular Formula: C18H32 O2
• Molecular Weight: 280.451
• European Community (EC) Number: 275-746-5
• DSSTox Substance ID: DTXSID801255092
• Nikkaji Number: J298.980H
• Metabolomics Workbench ID: 4273
• Mol file: 71648-18-5.mol

Synonyms:71648-18-5;EINECS 275-746-5;(Z)-3,7-Dimethyl-2,6-octadienyl octanoate;(Z)-3,7-Dimethylocta-2,6-dienyl octanoate;WE(8:2(2Z,6E)(3Me,7Me)/8:0);Neryl octanoate;DTXSID801255092;LMFA07010628;(2Z)-3,7-Dimethyl-2,6-octadien-1-yl octanoate;Octanoic acid (Z)-3,7-dimethyl-2,6-octadienyl ester

Chemical Property of (Z)-3,7-Dimethyl-2,6-octadienyl octanoate

Chemical Property:

• Vapor Pressure: 1.64E-05mmHg at 25°C
• Boiling Point: 364.8°C at 760 mmHg
• Flash Point: 101.5°C
• PSA: 26.30000
• Density: 0.887g/cm³
• LogP: 5.58280
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 280.240230259
• Heavy Atom Count: 20
• Complexity: 309

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)OCC=C(C)CCC=C(C)C
• Isomeric SMILES: CCCCCCCC(=O)OC/C=C(/C)\CCC=C(C)C

Technology Process of (Z)-3,7-Dimethyl-2,6-octadienyl octanoate

There total 2 articles about (Z)-3,7-Dimethyl-2,6-octadienyl octanoate 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:

Nerol (106-25-2) + octanoic acid anhydride (623-66-5) → octanoic acid 3,7-dimethyl-2,6-octadienyl ester (51532-26-4) + neryl octanoate (71648-18-5)

Guidance literature:

With lipase from hog pancreas; In diethyl ether; at 20 ℃; for 2h; Product distribution; Rate constant;

DOI:10.1016/S0040-4039(00)97757-8

Reference yield:

Nerol (106-25-2) + Octanoic acid (124-07-2) → neryl octanoate (71648-18-5)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane;

DOI:10.1080/14786419.2020.1839462

upstream raw materials:

Nerol

octanoic acid anhydride

Octanoic acid