cis-2-Hexene - ≥95%(GC), used for cis-2-Hexene is used as an organic chemical synthesis intermediate. various applications , CAS No.7688-21-3

CAS: 7688-21-3 Cat. No.: C153486 Molecular Weight: 84.16 Beilstein Registry Number: 1719020 EC Number: 231-697-1

GRADE & PURITY ≥95%(GC)

Synonyms

(2Z)-2-Hexene # | (Z)-2-C6H12 | 2-hexene, (2Z)- | 2-Hexene-cis | 2-Hexene, (Z)- | NSC 74122 | UI6O1H5J7J | cis-2-Hexene | Q27291083 | 2-Hexene, cis- | MFCD00066520 | (2Z)-2-Hexene | (2Z)-hex-2-ene | (Z)-Hex-2-ene | cis-2-Hexene, 95% | EINECS 231-697-1 | N

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

cis-2-hexene is an isomer of hexene. It is obtained by the semi-hydrogenation of 2-hexyne on the surface of titanium dioxide in n-octane via the action of Pd78 (o-phenanthroline) [o-phenanthroline = 1,10-o-phenanthroline]. Cis-2-hexene is one of the major products of propylene dimerization under nickel oxide-silicon-alumina catalysts. It undergoes isomerization/hydrosilylation with phenylsilane under cobalt catalysts to produce 1-hexylphenylsilane.

Specifications

Synonyms

(2Z)-2-Hexene # | (Z)-2-C6H12 | 2-hexene, (2Z)- | 2-Hexene-cis | 2-Hexene, (Z)- | NSC 74122 | UI6O1H5J7J | cis-2-Hexene | Q27291083 | 2-Hexene, cis- | MFCD00066520 | (2Z)-2-Hexene | (2Z)-hex-2-ene | (Z)-Hex-2-ene | cis-2-Hexene, 95% | EINECS 231-697-1 | N

Specifications & Purity

≥95%(GC)

Application

cis-2-Hexene is used as an organic chemical synthesis intermediate.

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 504759755
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759755
• Canonical Smiles: CCCC=CC
• IUPAC Name: (Z)-hex-2-ene
• InChIKey: RYPKRALMXUUNKS-HYXAFXHYSA-N
• INCHI: 1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-
• Isomeric SMILES: CCC/C=C\C
• WGK Germany: 3
• Molecular Weight: 84.16
• Beilstein: 1719020
• Reaxy-Rn: 969179
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969179&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Unsaturated hydrocarbons
      • Subclass Unsaturated aliphatic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Unsaturated hydrocarbons
• Subclass: Unsaturated aliphatic hydrocarbons
• Intermediate Tree Nodes: Not available
• Direct Parent: Unsaturated aliphatic hydrocarbons
• Alternative Parents: Alkenes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Unsaturated aliphatic hydrocarbon - Olefin - Alkene - Acyclic olefin - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple 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: Immiscible in water.
• Refractive Index: 1.40
• Flash Point(°F): −4 °F
• Flash Point(°C): -20°C(lit.)
• Boil Point(°C): 69°C
• Molecular Weight: 84.160 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 84.0939 Da
• Monoisotopic Mass: 84.0939 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 35.300
• 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