2,3-Dimethylhex-1-ene

Base Information

• Chemical Name: 2,3-Dimethylhex-1-ene
• CAS No.: 16746-86-4
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• European Community (EC) Number: 240-805-6
• DSSTox Substance ID: DTXSID90871261
• Nikkaji Number: J208.339F
• Mol file: 16746-86-4.mol

Synonyms:2,3-Dimethyl-1-hexene;2,3-Dimethylhex-1-ene;16746-86-4;1-Hexene, 2,3-dimethyl-;EINECS 240-805-6;QSPL 112;DTXSID90871261;MFCD00039950;AKOS006229883;FT-0637421

Chemical Property of 2,3-Dimethylhex-1-ene

Chemical Property:

• Vapor Pressure: 26.1mmHg at 25°C
• Melting Point: -103.01°C (estimate)
• Refractive Index: 1.4089
• Boiling Point: 112.1°Cat760mmHg
• Flash Point: 6.7°C
• PSA: 0.00000
• Density: 0.719g/cm³
• LogP: 2.99870
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 112.125200510
• Heavy Atom Count: 8
• Complexity: 72.1

Purity/Quality:

98%Min ^*data from raw suppliers

2,3-Dimethyl-1-hexene 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)C(=C)C

Technology Process of 2,3-Dimethylhex-1-ene

There total 14 articles about 2,3-Dimethylhex-1-ene 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:

di-2-butyl ether (6863-58-7) → 1-butylene (106-98-9,9003-28-5) + (Z)-2-Butene (590-18-1) + trans-2-Butene (624-64-6) + 2,3,3-trimethyl-1-pentene (560-23-6) + 2,3-dimethyl-1-hexene (16746-86-4) + isobutene (115-11-7,15220-85-6) + iso-butanol (78-92-2,15892-23-6)

Guidance literature:

mixed oxide catalyst (26 wt.percent Ce; 47 wt.percent Zr; 1.54 wt.percent S) calcined to 700 C in flowing air for 3 h; at 200 - 220 ℃; for 23 - 65h; under 3345.86 Torr; Product distribution / selectivity; Gas phase;

Reference yield:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + 1-penten (109-67-1) → 2-(1-methylethyl)-1-pentene (16746-02-4) + 2,3-dimethyl-1-hexene (16746-86-4) + 2,3-Dimethyl-1-butene (563-78-0)

Guidance literature:

With Ta-η⁵-C5Me5-(cyclooctene)Cl2; In pentane; at 50 ℃; for 28h; under 2068.6 Torr; Rate constant; Product distribution; Mechanism;

DOI:10.1021/ja00537a035

Reference yield:

1-butylene (106-98-9,9003-28-5) + isobutene (115-11-7,15220-85-6) → 2,4,4-trimethyl-1-pentene (107-39-1) + 2,4,4-trimethylpent-2-ene (107-40-4) + (E)-2,2-dimethyl-3-hexene (690-93-7) + 2,3-dimethyl-2-hexene (7145-20-2) + 5,5-dimethyl-hex-2-ene (36382-10-2) + 2,3-dimethyl-1-hexene (16746-86-4)

Guidance literature:

With ion-exchanger-resin OK 80; at 80 ℃; Product distribution;

upstream raw materials:

2,2-dimethylhexan-3-ol

propene

1-penten

1-butylene