1-Hexene - Standard for GC , CAS No.592-41-6

CAS: 592-41-6 Cat. No.: H109533 Formula: C₆H₁₂ Molecular Weight: 84.16 Beilstein Registry Number: 1209240 EC Number: 209-753-1

GRADE & PURITY Standard for GC

Synonyms

2(OR 3)-HEXENE|1(OR 2)-HEXENE|alpha-hexene|Hexene, 1-|1-Hexene [UN2370] [Flammable liquid]|Neodene 6 XHP|Alkenes, C6-7 alpha-|1-C6H12|1-n-Hexene|Dialene 6|Butyl ethylene|Alkenes, C6-7 .alpha.-|n-Hexene|Hexene-1|Alkenes, C6-9 alpha-|Hexene|HEXENE [INCI]|.ALPHA.-HEXENE|Butylethylene|1-HEXENE|5-hexene|Alkenes, C6-9 .alpha.-|hexacarbene|1-HEXENE [HSDB]|Linealene 6

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonyms

2(OR 3)-HEXENE | 1(OR 2)-HEXENE | alpha-hexene | Hexene, 1- | 1-Hexene [UN2370] [Flammable liquid] | Neodene 6 XHP | Alkenes, C6-7 alpha- | 1-C6H12 | 1-n-Hexene | Dialene 6 | Butyl ethylene | Alkenes, C6-7 .alpha.- | n-Hexene | Hexene-1 | Alkenes, C6-9 alpha- | Hexene | HEXENE [INCI] | .ALPHA.-HEXENE | Butylethylene | 1-HEXENE | 5-hexene Show more

Specifications & Purity

Standard for 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.

Grade

Standard for GC

Names and Identifiers

Pubchem Sid

508807311

Canonical Smiles

CCCCC=C

IUPAC Name

hex-1-ene

InChIKey

LIKMAJRDDDTEIG-UHFFFAOYSA-N

INCHI

1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3

Isomeric SMILES

CCCCC=C

WGK Germany

1

RTECS

MP6670000

UN Number

2370

Packing Group

II

Molecular Weight

84.16

Beilstein

1209240

Reaxy-Rn

1209240

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209240&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: alkene

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

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water, soluble in alcohol, ether and most other organic solvents.
• Refractive Index: 1.3867-1.3887
• Flash Point(°F): −19 °F
• Flash Point(°C): -26℃
• Boil Point(°C): 60-66 °C(lit.)
• Melt Point(°C): -140°C
• Molecular Weight: 84.160 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• 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: 29.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1