3,5,5-Trimethyl-1-hexene

Base Information

• Chemical Name: 3,5,5-Trimethyl-1-hexene
• CAS No.: 4316-65-8
• Molecular Formula: C9H18
• Molecular Weight: 126.242
• Hs Code.: 2901299090
• European Community (EC) Number: 630-996-8
• DSSTox Substance ID: DTXSID10863365
• Nikkaji Number: J125.082E
• Mol file: 4316-65-8.mol

Synonyms:3,5,5-Trimethyl-1-hexene;4316-65-8;3,5,5-trimethylhex-1-ene;1-Hexene, 3,5,5-trimethyl-;3,5,5-Trimethylhexene-1;DTXSID10863365;JTXUVHFRSRTSAT-UHFFFAOYSA-N;MFCD00026333;AKOS006228027;T0779;T72472;InChI=1/C9H18/c1-6-8(2)7-9(3,4)5/h6,8H,1,7H2,2-5H

Chemical Property of 3,5,5-Trimethyl-1-hexene

Chemical Property:

• Vapor Pressure: 13.7mmHg at 25°C
• Refractive Index: 1.4090-1.4110
• Boiling Point: 127.1°Cat760mmHg
• Flash Point: 25.4°C
• PSA: 0.00000
• Density: 0.731g/cm³
• LogP: 3.24470
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 126.140850574
• Heavy Atom Count: 9
• Complexity: 84.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,5,5-Trimethyl-1-xexene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CC(CC(C)(C)C)C=C

Technology Process of 3,5,5-Trimethyl-1-hexene

There total 5 articles about 3,5,5-Trimethyl-1-hexene 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:

trans-but-2-enyl chloride (4894-61-5) + 2,2-dimethylpropyl bromide (630-17-1) → 3,5,5-trimethylhexene-1 (4316-65-8) + 6,6-dimethyl-hept-2t-ene (87970-30-7)

Guidance literature:

With magnesium; CuCN; In tetrahydrofuran; at 20 ℃; for 1.5h; Title compound not separated from byproducts.;

DOI:10.1016/j.tetlet.2007.04.060

Reference yield:

3,5,5-trimethylhexyl acetate (58430-94-7) → 3,5,5-trimethylhexene-1 (4316-65-8)

Guidance literature:

at 500 ℃;

DOI:10.1039/jr9520001761

Reference yield:

→ 3,5,5-trimethylhexene-1 (4316-65-8)

Guidance literature:

Pyrolysis;

upstream raw materials:

isononanol

3,5,5-trimethylhexyl acetate

trans-but-2-enyl chloride

2,2-dimethylpropyl bromide

Downstream raw materials:

2,2,4-trimethylhexane

Refernces