3-Methoxy-3,7-dimethylocta-1,6-diene

Base Information

• Chemical Name: 3-Methoxy-3,7-dimethylocta-1,6-diene
• CAS No.: 60763-44-2
• Molecular Formula: C11H20 O
• Molecular Weight: 168.279
• European Community (EC) Number: 262-416-0
• UNII: 9FBH8T66XQ
• DSSTox Substance ID: DTXSID60866826
• Nikkaji Number: J268.284B
• Wikidata: Q27272488
• Mol file: 60763-44-2.mol

Synonyms:3-Methoxy-3,7-dimethylocta-1,6-diene;Linalyl methyl ether;60763-44-2;Linalool methyl ether;O-Methyllinalool;Methyl linalyl ether;1,6-Octadiene, 3-methoxy-3,7-dimethyl-;O-Methyllinalool, (+/-)-;3,7-Dimethyl-3-methoxy-1,6-octadiene;EINECS 262-416-0;UNII-9FBH8T66XQ;9FBH8T66XQ;AI3-25092;3-Methoxy-3,7-dimethyl-1,6-octadiene;3-methoxy-3,7-dimethyl-octa-1,6-diene;1,6-Octadiene, 3,7-dimethyl-3-methoxy-;Linalool, methyl ether;(+/-)-O-methyllinalool;SCHEMBL454435;DTXSID60866826;LS-97785;Ether, 1,5-dimethyl-1-vinyl-4-hexenyl methyl;3 - methoxy - 3,7 - dimethylocta - 1,6 - diene;Q27272488;Ether, 1,5-dimethyl-1-vinyl-4-hexenyl methyl (6CI,7CI)

Chemical Property of 3-Methoxy-3,7-dimethylocta-1,6-diene

Chemical Property:

• Vapor Pressure: 0.315mmHg at 25°C
• Boiling Point: 208°C at 760 mmHg
• Flash Point: 66°C
• PSA: 9.23000
• Density: 0.82g/cm³
• LogP: 3.32390
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 168.151415257
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

3-METHOXY-3,7-DIMETHYLOCTA-1,6-DIENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(C)(C=C)OC)C

Technology Process of 3-Methoxy-3,7-dimethylocta-1,6-diene

There total 11 articles about 3-Methoxy-3,7-dimethylocta-1,6-diene 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: 75.0%

3,7-dimethylocta-1,6-dien-3-ol (78-70-6) + methyl iodide (74-88-4) → 3-methoxy-3,7-dimethyl-1,6-octadiene (60763-44-2)

Guidance literature:

3,7-dimethylocta-1,6-dien-3-ol; With sodium hydride; In tetrahydrofuran; at 40 ℃; for 0.5h; Schlenk technique; Inert atmosphere;

methyl iodide; In tetrahydrofuran; at 40 ℃; for 12h; Schlenk technique; Inert atmosphere;

DOI:10.1021/ja507902z

Reference yield: 47.0%

methanol (67-56-1) + 3,7-dimethylocta-1,6-dien-3-ol (78-70-6) → 3-methoxy-3,7-dimethyl-1,6-octadiene (60763-44-2) + geraniol methyl ether (2565-83-5,72152-72-8,2565-82-4) + (2Z)-1-methoxy-3,7-dimethylocta-2,6-diene (2565-83-5)

Guidance literature:

With ruthenium trichloride;

Reference yield: 47.0%

methanol (67-56-1) + Nerol (106-25-2) → 3-methoxy-3,7-dimethyl-1,6-octadiene (60763-44-2) + geraniol methyl ether (2565-83-5,72152-72-8,2565-82-4) + (2Z)-1-methoxy-3,7-dimethylocta-2,6-diene (2565-83-5)

Guidance literature:

With ruthenium trichloride;

upstream raw materials:

2,6-Dimethyl-6-methoxy-oct-2-en-7-in

methanol

cis-3,7-dimethyl-2,6-octadienal

3,7-dimethylocta-1,6-dien-3-ol