2-Hexene - ≥85%, mixture of cis and trans isomers , CAS No.592-43-8

CAS: 592-43-8 Cat. No.: H157262 Formula: C₆H₁₂ Molecular Weight: 84.16 Beilstein Registry Number: 969179 EC Number: 209-755-2

GRADE & PURITY ≥85%, mixture of cis and trans isomers

Synonyms

Hexene, isomer|2-Hexene, (cis and trans)|Hexene, isomers|(2E)-2-Hexene #|2-Hexene, (E)-|trans-2-Hexene|(E)-2-Hexene|(E)-hex-2-ene|(2E)-2-Hexene|2-Hexene (cis+trans)|2-Hexene, cis + trans|2-hexene, (2E)-|2-HEXENE, TRANS-|trans-Hex-2-ene|(2E)-hex-2-ene

Storage

Room temperature

Shipped In

FedEx DG Service

Overview

The product is a mixture of cis- and trans-2-hexene. 1-hexene undergoes isomerization on 6080-mesh ZSM (Zeolite Socony Mobil)-5 zeolite to form cis- and trans-2-hexene as the predominant products.

Specifications

Synonyms

Hexene, isomer | 2-Hexene, (cis and trans) | Hexene, isomers | (2E)-2-Hexene # | 2-Hexene, (E)- | trans-2-Hexene | (E)-2-Hexene | (E)-hex-2-ene | (2E)-2-Hexene | 2-Hexene (cis+trans) | 2-Hexene, cis + trans | 2-hexene, (2E)- | 2-HEXENE, TRANS- | trans-Hex-2-ene | (2E)-hex-2-ene

Specifications & Purity

≥85%, mixture of cis and trans isomers

Storage

Room temperature

Shipped In

FedEx DG Service

Purity

≥85%

Names and Identifiers

Pubchem Sid

488190887

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190887

Canonical Smiles

CCCC=CC

IUPAC Name

(E)-hex-2-ene

InChIKey

RYPKRALMXUUNKS-HWKANZROSA-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

NSC Number

UN 3295

Packing Group

II

Molecular Weight

84.16

Beilstein

969179

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: Hydrocarbons

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

• Refractive Index: 1.395 (lit.)
• Flash Point(°F): -4 °F
• Flash Point(°C): -20 °C
• Boil Point(°C): 67-69 °C (lit.)
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥85% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 592-43-8, the molecular formula is C6H12, and the molecular weight is 84.16 g/mol. InChIKey RYPKRALMXUUNKS-HWKANZROSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.