Hexa-1,4-diene

Base Information

• Chemical Name: Hexa-1,4-diene
• CAS No.: 592-45-0
• Molecular Formula: C6H10
• Molecular Weight: 82.1454
• Hs Code.: 29012900
• European Community (EC) Number: 209-756-8
• DSSTox Substance ID: DTXSID5027227
• Mol file: 592-45-0.mol

Synonyms:hexa-1,4-diene;1,4-Hexadieno;Hexadiene (1,4-);Cis,trans-hexa-1,4-diene;DTXSID5027227;hexa-2,5-diene;FT-0606916;H0333

Chemical Property of Hexa-1,4-diene

Chemical Property:

• Appearance/Colour: clear, colorless liquid
• Melting Point: -138.7°C
• Refractive Index: n20/D 1.411(lit.)
• Boiling Point: 64.6 °C at 760 mmHg
• Flash Point: ?14 °F
• PSA: 0.00000
• Density: 0.71 g/mL at 25 °C(lit.)
• LogP: 2.13860
• Storage Temp.: 0-6°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 82.078250319
• Heavy Atom Count: 6
• Complexity: 51.1

Purity/Quality:

98%min ^*data from raw suppliers

1,4-Hexadiene (cis- and trans- mixture) >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): FXi
• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC=CCC=C
• Uses: 1,4-Hexadiene was used to prepare OH-adducts.

Technology Process of Hexa-1,4-diene

There total 42 articles about Hexa-1,4-diene 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: 73.0%

hexane-1,4-diol (16432-53-4) → 1,4-hexadiene (592-45-0)

Guidance literature:

With LaSiMo₁₂O₄₀; In dichloromethane; at 290 ℃;

Reference yield: 26.0%

1-hexene (592-41-6,25067-06-5) → thiophene (188290-36-0,8014-23-1,25233-34-5) + 1,4-hexadiene (592-45-0)

Guidance literature:

With sulfur dioxide; vanadia; at 350 - 400 ℃; for 0.5h;

Reference yield:

1,6-hexanediol (629-11-8) → oxepane (592-90-5) + hexahydro-2H-oxepin-2-one (502-44-3,24980-41-4,80137-66-2) + 1,5-Hexadien (592-42-7) + 1,4-hexadiene (592-45-0) + hex-4-en-1-ol (6126-50-7,928-91-6,928-92-7) + cyclohexane (110-82-7,25012-93-5) + 1-amino-cyclopentanemethanol (3637-61-4) + cyclohexene (110-83-8) + cyclohexanol (108-93-0)

Guidance literature:

With aluminum oxide; In ethanol; at 300 ℃; for 5h; Inert atmosphere;

DOI:10.1016/j.cattod.2010.10.026

upstream raw materials:

2-ethyltetrahydrofuran

1,5-Hexadien

5-bromo-4-ethoxy-1-hexene

4-hexen-1-ol, acetate

Downstream raw materials:

3-Methyl-1,4-heptadiene

3-ethyl-1,4-hexadiene

2-Methyl-hexa-3,5-dien

hexane

Refernces

• 1、 Iwamoto,Yuguchi. "". . p. 150. Retrieved 1968.
• 2、 Henrici-Olive,Olive. "Codimerization of butadiene and ethylene". . p. 381 - 388. Retrieved 1972.
• 3、 -. "SYNTHESIS OF PHEROMONES AND RELATED MATERIALS VIA OLEFIN METATHESIS". Paragraph 0110. . Retrieved 2018/09/12.
• 4、 Yousaf, Muhammad,Zahoor, Ameer Fawad,Anjum, Anbreen,Bokhari, Tanveer Hussain,Ali, Kulsoom Ghulam,Purveen, Bushra,Naheed, Shazia,Jabbar, Abdul,Ahmad, Hafiz Badaruddin. "Synthesis and characterization of tridentate schiff base derivative of indenyl lanthanoid chloride tetrahydrofuranate complexes for catalytic applications". . p. 518 - 520. Retrieved 2013/02/22.