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%min ^*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:

n-hexylmethyldichlorosilane

3-octen-2-one

3-nonanone

decan-4-one

Refernces

• 1、 Chen, Liduo,Jin, Rui,Li, Cuiqin,Mao, Guoliang,Tan, Jinyan,Wang, Jun,Zhang, Na. "Nickle-Schiff base covalently grafted to UiO-66-NH2 as heterogeneous catalyst for ethylene oligomerization". . . Retrieved 2021/11/27.
• 2、 Ma, Lei,Jiang, Pengbo,Wang, Kaizhi,Lan, Kai,Huang, Xiaokang,Yang, Ming,Gong, Li,Jia, Qi,Mu, Xiao,Xiong, Yucong,Li, Rong. "Phosphorus and nitrogen-doped palladium nanomaterials support on coral-like carbon materials as the catalyst for semi-hydrogenation of phenylacetylene and mechanism study". . . Retrieved 2021/02/26.