1-Hexene

Base Information

• Chemical Name: 1-Hexene
• CAS No.: 592-41-6
• Deprecated CAS: 153522-12-4,33004-04-5
• Molecular Formula: C6H12
• Molecular Weight: 84.1613
• Hs Code.: 2901299090
• European Community (EC) Number: 209-753-1
• ICSC Number: 0490
• NSC Number: 74121
• UN Number: 2370
• UNII: B38ZZ8C206
• DSSTox Substance ID: DTXSID4025402
• Nikkaji Number: J6.761J
• Wikipedia: 1-Hexene
• Wikidata: Q161637
• Metabolomics Workbench ID: 123615
• ChEMBL ID: CHEMBL1548726
• Mol file: 592-41-6.mol

Synonyms:1-hexene;hexene

Chemical Property of 1-Hexene

Chemical Property:

• Appearance/Colour: colourless liquid
• Melting Point: -140 °C
• Refractive Index: n20/D 1.388(lit.)
• Boiling Point: 62.81 °C at 760 mmHg
• Flash Point: -9.444 °C
• PSA: 0.00000
• Density: 0.686 g/cm³
• LogP: 2.36260
• Water Solubility.: 0.005 g/100 mL
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 84.093900383
• Heavy Atom Count: 6
• Complexity: 29
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s): F,Xn,N
• Hazard Codes: F:Flammable;;
• Statements: R11:; R51/53:; R65:; R67:
• Safety Statements: S16:; S29:; S33:; S57:; S62:; S9:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CCCCC=C
• Inhalation Risk: A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is mildly irritating to the eyes and respiratory tract. If this liquid is swallowed, aspiration into the lungs may result in chemical pneumonitis. Exposure at high levels could cause lowering of consciousness.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking.

Technology Process of 1-Hexene

There total 450 articles about 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: 48.0%

1-bromo-6-chlorohexane (6294-17-3) → 1-hexene (592-41-6,25067-06-5) + hexane (110-54-3) + 1-Chlorohexane (544-10-5) + 6-chlorohexene (928-89-2)

Guidance literature:

With tetrabutyl ammonium fluoride; In N,N-dimethyl-formamide; at 25 ℃; Electrolysis;

DOI:10.1016/j.electacta.2016.09.066

Reference yield:

tetrachloromethane (56-23-5) + propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) → 1-hexene (592-41-6,25067-06-5) + 1,1,1,5-tetrachloro-3-methylhexane (13275-22-4) + 1,1,1-trichloro-butane (13279-85-1) + 1,1,1,3-tetrachlorobutane (13275-19-9) + 1,1,1-trichloro-3-methyl-hexane (13275-20-2) + 3-chloroprop-1-ene (107-05-1)

Guidance literature:

With tungsten hexacarbonyl; at 140 ℃; for 1h; Product distribution; Mechanism; chain termination in the telomerization of title compound;

DOI:10.1007/BF00957255

Reference yield:

5-hexenyl<1-hydroperoxy-1-methylethyl>diazene (111278-42-3) → 1-hexene (592-41-6,25067-06-5) + 5-Hexen-1-ol (821-41-0) + methyl-cyclopentane (96-37-7) + 1-amino-cyclopentanemethanol (3637-61-4)

Guidance literature:

In various solvent(s); at 50 ℃; for 0.5h; Rate constant; sealed tube;

upstream raw materials:

2,2,4-trimethylpentane

2-Nonanone

diethyl ether

di-tert-butyl peroxide

Downstream raw materials:

2-hexylpiperidine

Hexen-(2)-ylbernsteinaeureanhydrid

n-hexylmethyldichlorosilane

2-methyl-2-ethylbutanoic acid

Refernces

μ₂,η¹- N -[(N, N -Dimethylamino)dimethylsilyl] -2,6-diisopropylanilido metal (Li, Zr, Hf) compounds and the catalytic behaviors of the IVB compounds in ethylene (Co)polymerization

10.1021/om100044b

The study focuses on the synthesis and characterization of organometallic compounds containing the μ2,η1-N-[(N,N-dimethylamino)dimethylsilyl]-2,6-diisopropylanilido ligand, specifically targeting lithium, zirconium, and hafnium compounds. These compounds were investigated for their catalytic behaviors in ethylene (co)polymerization. The chemicals used in the study include 2,6-diisopropylaniline, nBuLi, (CH3)2N(CH3)2SiCl, and group 4 metal chlorides (ZrCl4 and HfCl4), which serve as precursors for the formation of the organometallic compounds. Methylaluminoxane (MAO) and modified methylaluminoxane (MMAO) were employed as cocatalysts to assess the catalytic activities of the synthesized compounds in polymerization reactions. The purpose of these chemicals is to create novel catalysts that can efficiently polymerize ethylene and copolymerize ethylene with 1-hexene, leading to the production of high-density polyethylene (HDPE) and linear low-density polyethylene (LLDPE), respectively. The study aims to understand the structure-activity relationships of these catalysts and their potential applications in industrial polymer production.

Mechanism of hydroboration of alkenes by dibromoborane-methyl sulfide. Remarkable catalysis of the reaction by small quantities of boron tribromide

10.1021/om50003a039

The study investigates the hydroboration of alkenes by BHBr2.SMe2, focusing on the reaction mechanism and the catalytic effect of BBr3. Key chemicals involved include BHBr2.SMe2, which acts as the reagent for hydroborating alkenes such as 1-hexene and cyclohexene. The study reveals that the hydroboration proceeds via a dissociation mechanism where BHBr2.SMe2 dissociates into BHBr2 and Me2S, with the free BHBr2 reacting with the alkene to form RBBr2, which then re-complexes with Me2S. The addition of small quantities of BBr3 significantly catalyzes the reaction by trapping the free Me2S, thereby enhancing the rate of hydroboration. This mechanism explains the faster hydroboration rates observed with BHBr2.SMe2 compared to BHC12.SMe2. The study also highlights the practical application of this catalysis in organic synthesis, particularly for less reactive alkenes like cyclohexene.