3,3,5-Trimethyl-1-hexene

Base Information

• Chemical Name: 3,3,5-Trimethyl-1-hexene
• CAS No.: 13427-43-5
• Molecular Formula: C9H18
• Molecular Weight: 126.2392
• Hs Code.: 2901299090
• DSSTox Substance ID: DTXSID90158620
• Nikkaji Number: J142.907H
• Wikidata: Q83026914
• Mol file: 13427-43-5.mol

Synonyms:3,3,5-TRIMETHYL-1-HEXENE;3,3,5-trimethylhex-1-ene;13427-43-5;1-Hexene, 3,3,5-trimethyl-;3,3,5-Trimethyl-1-hexene #;DTXSID90158620;JWKWSKMAPDHZIR-UHFFFAOYSA-N

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

Chemical Property:

• Vapor Pressure: 13.7mmHg at 25°C
• Boiling Point: 127.1°Cat760mmHg
• Flash Point: 25.4°C
• PSA: 0.00000
• Density: 0.731g/cm³
• LogP: 3.24470
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 126.140850574
• Heavy Atom Count: 9
• Complexity: 88.2

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C)(C)C=C

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

There total 5 articles about 3,3,5-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:

isoprene (78-79-5,9003-31-0) → 3,3,5-Trimethyl-1-hexen (13427-43-5)

Guidance literature:

With hydrogen bromide; at -70 ℃; und Behandeln des Reaktionsprodukts mit Isobutylmagnesiumbromid in Aether;

Reference yield:

(2,4,4-trimethyl-hex-5-enyl)-magnesium chloride (69078-26-8) → 3,3,5-Trimethyl-1-hexen (13427-43-5)

Guidance literature:

With sulfuric acid; In diethyl ether;

Reference yield:

2,4,4-trimethyl-hexa-1,5-diene (69078-24-6) → 3,3,5-Trimethyl-1-hexen (13427-43-5)

Guidance literature:

Multi-step reaction with 3 steps

1: HCl / diethyl ether

2: Mg, EtBr / diethyl ether

3: H₂SO₄ / diethyl ether

With hydrogenchloride; sulfuric acid; ethidium Bromide; magnesium; In diethyl ether;

upstream raw materials:

isoprene

(2,4,4-trimethyl-hex-5-enyl)-magnesium chloride

2,4,4-trimethyl-hexa-1,5-diene

5-chloro-3,3,5-trimethyl-hex-1-ene