2,4-Hexadiene (mixture of isomers) - ≥95% , CAS No.592-46-1

CAS: 592-46-1 Cat. No.: H113628 Molecular Weight: 82.14 Beilstein Registry Number: 1254 EC Number: 209-757-3

GRADE & PURITY ≥95%

Synonyms

trans, trans-2,4-hexadiene | trans,trans-Hexa-2,4-diene | EC 271-040-6 | AKOS015903031 | (2E,4E)-hexa-2,4-diene | Bipropenyl | 2,4-HEXADIENE | (E,E)-2,4-HEXADIENE | EINECS 209-757-3 | BP-10039 | CCRIS 8962 | 8NFN12O8UQ | J147.953I

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

Product Describtion:

2,4-Hexadiene, mixture of isomers, is a conjugated diene. The interaction between palladium chloride and 2,4-hexadiene has been reported to proceed in a stereospecific manner. The photodissociation spectra of 2,4-hexadiene isomers have been recorded.The polymers obtained by the polymerization of 2,4-hexadiene isomers are reported to have the trans-1,4 structure.

Product Application:

2,4-Hexadiene is used in the production of 3,6-dimethyl-3,6-dihydro-[1,2]dithiine.

Specifications

Synonyms

trans, trans-2, 4-hexadiene | trans, trans-Hexa-2, 4-diene | EC 271-040-6 | AKOS015903031 | (2E, 4E)-hexa-2, 4-diene | Bipropenyl | 2, 4-HEXADIENE | (E, E)-2, 4-HEXADIENE | EINECS 209-757-3 | BP-10039 | CCRIS 8962 | 8NFN12O8UQ | J147.953I

Specifications & Purity

≥95%

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504759649
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759649
• Canonical Smiles: CC=CC=CC
• IUPAC Name: (2E,4E)-hexa-2,4-diene
• InChIKey: APPOKADJQUIAHP-GGWOSOGESA-N
• INCHI: 1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3+,6-4+
• Isomeric SMILES: C/C=C/C=C/C
• WGK Germany: 3
• UN Number: 2458
• Molecular Weight: 82.14
• Beilstein: 1254
• Reaxy-Rn: 605270
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605270&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Unsaturated hydrocarbons
      • Subclass Olefins
        • Level5 Acyclic olefins
          • Level6 Alkadienes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Acyclic olefins
• Direct Parent: Alkadienes
• Alternative Parents: Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkadiene - Unsaturated aliphatic hydrocarbon - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alkadienes. These are acyclic hydrocarbons that contain exactly two carbon-to-carbon double bonds.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Miscible with ethanol, ethyl ether and chloroform. Immiscible with water.
• Sensitivity: Air sensitive
• Refractive Index: 1.45
• Flash Point(°F): 8.6 °F
• Flash Point(°C): -8℃
• Boil Point(°C): 82°C
• Molecular Weight: 82.140 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 82.0783 Da
• Monoisotopic Mass: 82.0783 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 48.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

References

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