cis,trans-Hexa-2,4-diene

Base Information

• Chemical Name: cis,trans-Hexa-2,4-diene
• CAS No.: 5194-50-3
• Molecular Formula: C6H10
• Molecular Weight: 82.1454
• Hs Code.: 2901299090
• European Community (EC) Number: 225-979-3,209-757-3
• NSC Number: 74169
• UNII: G4M9133VS9
• DSSTox Substance ID: DTXSID40873538
• Nikkaji Number: J211I
• Wikidata: Q27278744
• Mol file: 5194-50-3.mol

Synonyms:cis,trans-Hexa-2,4-diene;5194-50-3;2,4-Hexadiene, (E,Z)-;(2E,4Z)-2,4-Hexadiene;(2Z,4E)-hexa-2,4-diene;cis,trans-2,4-Hexadiene;(E,Z)-2,4-Hexadiene;2,4-Hexadiene, (2E,4Z)-;UNII-G4M9133VS9;G4M9133VS9;EINECS 225-979-3;(E),(Z)-CH3CH=CHCH=CHCH3;592-46-1;cis-2-trans-4-hexadiene;(Z,E)-2,4-Hexadiene;2,4-Hexadiene(cis+trans);DTXSID40873538;(2Z,4E)-2,4-Hexadiene #;J211I;NSC74169;NSC-74169;AKOS006230070;LS-101418;D90841;Q27278744

Chemical Property of cis,trans-Hexa-2,4-diene

Chemical Property:

• Vapor Pressure: 96.4mmHg at 25°C
• Melting Point: -96.1°C
• Refractive Index: n20/D 1.445(lit.)
• Boiling Point: 80 °C at 760 mmHg
• Flash Point: 7 °F
• PSA: 0.00000
• Density: 0.715 g/cm³
• LogP: 2.13860
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 82.078250319
• Heavy Atom Count: 6
• Complexity: 48.4

Purity/Quality:

99% ^*data from raw suppliers

CIS,TRANS-2,4-HEXADIENE 95.00% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CC=CC=CC
• Isomeric SMILES: C/C=C/C=C\C

Technology Process of cis,trans-Hexa-2,4-diene

There total 55 articles about cis,trans-Hexa-2,4-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: 57.0%

1,5-Hexadien (592-42-7) → (E,Z)-2,4-hexadiene (5194-50-3) + (E)-1,4-hexadiene (7319-00-8) + methylenecyclopentane (1528-30-9) + 1-methylcyclopent-1-ene (693-89-0)

Guidance literature:

With isopropylmagnesium bromide; bis(cyclopentadienyl)titanium dichloride; In diethyl ether; at 20 ℃; for 3h; Further byproducts given. Yields of byproduct given;

Reference yield: 7.0%

(2E,4E)-hexa-2,4-diene (5194-51-4) → (E,Z)-2,4-hexadiene (5194-50-3) + 1,3-hexadiene (20237-34-7) + cis,cis-2,4-Hexadien (6108-61-8)

Guidance literature:

In gas; under 0.1 - 0.2 Torr; Irradiation; radio frequency plasma;

DOI:10.1021/ja00277a036

Reference yield: 4.0%

1,3-hexadiene (20237-34-7) → (2E,4E)-hexa-2,4-diene (5194-51-4) + (E,Z)-2,4-hexadiene (5194-50-3) + cis,cis-2,4-Hexadien (6108-61-8)

Guidance literature:

In gas; under 0.1 - 0.2 Torr; Irradiation; radio frequency plasma;

DOI:10.1021/ja00277a036

upstream raw materials:

2,4-oxetanedione

(2E,4E)-hexa-2,4-diene

hexa-1,3-diene

Acetonylaceton-bis-p-toluolsulfonylhydrazon

Downstream raw materials:

(+/-)-3c,6t-dimethyl-cyclohex-4-ene-1r,2c-dicarboxylic acid

(2E,4E)-hexa-2,4-diene

trans-3,6-Dimethyl-4-cyclohexen-1,1,2,2-tetracarbonitril

C₁₈H₂₀O₂SSe

Refernces

• 1、 Germain et al.. "". . p. 115,1120. Retrieved 1959.
• 2、 Miller,Pinke. "". . p. 4500. Retrieved 1968.
• 3、 Lei, Deqing,Gaspar, Peter P.. "Addition of Dimethylsilanediyl (Dimethylsilylene) to cis,cis-Hexa-2,4-diene: Evidence for a Concerted Vinylsilacyclopropane Rearrangement". . p. 1149 - 1151. Retrieved 1985.
• 4、 Hyndman et al.. "". . p. 2852. Retrieved 1969.
• 5、 Bzier, David,Brookhart, Maurice. "Applications of PC(sp3)P iridium complexes in transfer dehydrogenation of alkanes". . p. 3411 - 3420. Retrieved 2015/02/19.
• 6、 Lyons, Thomas W.,Guironnet, Damien,Findlater, Michael,Brookhart, Maurice. "Synthesis of p-xylene from ethylene". supporting information. p. 15708 - 15711,4. Retrieved 2012/12/11.