3,7-Dimethyloct-6-en-3-yl acetate

Base Information

• Chemical Name: 3,7-Dimethyloct-6-en-3-yl acetate
• CAS No.: 50373-60-9
• Molecular Formula: C12H22O2
• Molecular Weight: 198.305
• Hs Code.: 2915390090
• European Community (EC) Number: 256-559-8
• DSSTox Substance ID: DTXSID50964643
• Mol file: 50373-60-9.mol

Synonyms:(1)-3,7-Dimethyloct-6-en-3-yl acetate;EINECS 256-559-8;50373-60-9;3,7-dimethyloct-6-en-3-yl acetate;SCHEMBL3749023;DTXSID50964643;WLAIKFKCSAXVJL-UHFFFAOYSA-N;(+-)-3,7-dimethyloct-6-en-3-yl acetate;6-Octen-3-ol, 3,7-dimethyl-, acetate, (.+-.)-

Chemical Property of 3,7-Dimethyloct-6-en-3-yl acetate

Chemical Property:

• Vapor Pressure: 0.144mmHg at 25°C
• Boiling Point: 215.9°C at 760 mmHg
• Flash Point: 58.3°C
• PSA: 26.30000
• Density: 0.886g/cm³
• LogP: 3.46460
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(CCC=C(C)C)OC(=O)C

Technology Process of 3,7-Dimethyloct-6-en-3-yl acetate

There total 4 articles about 3,7-Dimethyloct-6-en-3-yl acetate 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%

dihydrolinalool (18479-51-1,2270-57-7,94006-45-8) + acetic anhydride (108-24-7) → dihydrolinalool acetate (50373-60-9)

Guidance literature:

With C₁₂H₈N₂*2CH₄O₃S; at 50 ℃; for 4h;

DOI:10.1016/S1872-2067(16)62577-9

Reference yield:

3,7-dimethyloct-6-en-1-yn-3-yl acetate (29171-21-9) → dihydrolinalool acetate (50373-60-9) + linalool acetate (115-95-7)

Guidance literature:

With hydrogen; Lindlar's catalyst; In octane; at 20 ℃; under 760 Torr; Product distribution; other solvents (ethanol, acetic acid), other catalyst (2.8percent Pd/C); dependence of reaction rate;

Reference yield:

acetic acid (64-19-7,77671-22-8) → dihydrolinalool acetate (50373-60-9)

Guidance literature:

With sulfuric acid; acetate of dihydrolinalool from linaloolene; bei niedriger Temperatur;

upstream raw materials:

dihydrolinalool

acetic anhydride

3,7-dimethyloct-6-en-1-yn-3-yl acetate

acetic acid