1,4-Hexadiene (cis- and trans- mixture) - ≥99%(GC) , CAS No.592-45-0

CAS: 592-45-0 Cat. No.: H157263 Molecular Weight: 82.15 Beilstein Registry Number: 1253 EC Number: 209-756-8

GRADE & PURITY ≥99%(GC)

Synonyms

trans-1,4-Hexadiene | 1,4-Hexadiene, (4E)- | 1,4-Hexadiene,c&t | 1,4-Hexa-1,4-diene | (4E)-hexa-1,4-diene | 1,4-Hexadiene, cis + trans | 17304456C6 | Allylpropenyl | (e)-1,4-hexadiene | 1,4-Hexadiene cis-trans | 1,4-trans-hexadiene

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Overview

Application

1,4-Hexadiene was used to prepare OH-adducts.

Specifications

Synonyms

trans-1, 4-Hexadiene | 1, 4-Hexadiene, (4E)- | 1, 4-Hexadiene, c&t | 1, 4-Hexa-1, 4-diene | (4E)-hexa-1, 4-diene | 1, 4-Hexadiene, cis + trans | 17304456C6 | Allylpropenyl | (e)-1, 4-hexadiene | 1, 4-Hexadiene cis-trans | 1, 4-trans-hexadiene

Specifications & Purity

≥99%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice, FedEx DG Service

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

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 504763749
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763749
• Canonical Smiles: CC=CCC=C
• IUPAC Name: (4E)-hexa-1,4-diene
• InChIKey: PRBHEGAFLDMLAL-GQCTYLIASA-N
• INCHI: 1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4+
• Isomeric SMILES: C/C=C/CC=C
• WGK Germany: 3
• Molecular Weight: 82.15
• Beilstein: 1253
• Reaxy-Rn: 1731889
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731889&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

• Sensitivity: Sensitivity to heat
• Refractive Index: 1.4080 to 1.4110
• Flash Point(°F): -14.8 °F
• Flash Point(°C): -21°C
• Boil Point(°C): 65°C
• Molecular Weight: 82.140 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• 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: 51.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1