3,6,7-Trimethyl-2,6-octadien-1-ol

Base Information

• Chemical Name: 3,6,7-Trimethyl-2,6-octadien-1-ol
• CAS No.: 42933-32-4
• Molecular Formula: C₁₁H₂₀O
• Molecular Weight: 168.279
• European Community (EC) Number: 256-009-7
• DSSTox Substance ID: DTXSID1068435
• Nikkaji Number: J310.010C
• Mol file: 42933-32-4.mol

Synonyms:3,6,7-Trimethyl-2,6-octadien-1-ol;42933-32-4;EINECS 256-009-7;2,6-Octadien-1-ol, 3,6,7-trimethyl-;SCHEMBL8998752;SCHEMBL8998758;DTXSID1068435

Chemical Property of 3,6,7-Trimethyl-2,6-octadien-1-ol

Chemical Property:

• Vapor Pressure: 0.00433mmHg at 25°C
• Boiling Point: 246.9°C at 760 mmHg
• Flash Point: 92.6°C
• PSA: 20.23000
• Density: 0.866g/cm³
• LogP: 3.06150
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 168.151415257
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C(C)CCC(=CCO)C)C
• Isomeric SMILES: CC(=C(C)CC/C(=C/CO)/C)C

Technology Process of 3,6,7-Trimethyl-2,6-octadien-1-ol

There total 25 articles about 3,6,7-Trimethyl-2,6-octadien-1-ol 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: 92.0%

ethyl (E)-3,6,7-trimethylocta-2,6-dienoate → (E)-3,6,7-trimethylocta-2,6-dien-1-ol (3899-32-9,42933-32-4)

Guidance literature:

With diisobutylaluminium hydride; In diethyl ether; hexane; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1002/chem.202100962

Reference yield: 66.0%

6-phenylsulfonyl-3,6,7-trimethylocta-2E,7-dien-1-ol (127348-54-3) → (E)-3,6,7-trimethylocta-2,6-dien-1-ol (3899-32-9,42933-32-4) + 3,6,7,10,11,14-hexamethylhexadeca-2E,6E,10E,14E-tetraene-1,16-diol (127348-55-4)

Guidance literature:

With sodium; In tetrahydrofuran; ammonia; at -70 ℃; for 0.25h; or with NaOEt in THF;

DOI:10.1007/BF01168096

Reference yield: 56.0%

Ethyl 3,6,7-trimethyl-2,6-octadienoate (42933-31-3) → (E)-3,6,7-trimethylocta-2,6-dien-1-ol (3899-32-9,42933-32-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 0.5h;

DOI:10.1016/S0040-4020(01)82399-1

upstream raw materials:

Ethyl 3,6,7-trimethyl-2,6-octadienoate

3,6,7-trimethyl-6-octen-1-en-3-ol

acetic anhydride

acetic acid

Downstream raw materials:

(+-)-4t-(2,5c,6,6-tetramethyl-cyclohex-2-en-r-yl)-but-3-en-2-one

(E)-6,9,10-trimethylundeca-5,9-dien-2-one

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