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

CAS: 592-41-6 Cat. No.: H109533 Fórmula: C₆H₁₂ Peso molecular: 84.16 Beilstein Registry Number: 1209240 Número EC: 209-753-1

CALIDAD & PUREZA 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

Especificaciones

Sinónimos

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

Especificaciones y pureza

Standard for GC

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice,FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Standard for GC

Nombres e identificadores

Pubchem Sid

508807311

Sonrisas canónicas

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

Isómeros SMILES

CCCCC=C

WGK Alemania

1

RTECS

MP6670000

Número ONU

2370

Grupo de embalaje

II

Peso molecular

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
    • Clase Unsaturated hydrocarbons
      • Subclass Unsaturated aliphatic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, soluble in alcohol, ether and most other organic solvents.
• Índice de refracción: 1.3867-1.3887
• Punto de inflamación (°F): −19 °F
• Punto de inflamación (°C): -26℃
• Punto de ebullición (°C): 60-66 °C(lit.)
• Punto de fusión (°C): -140°C
• Peso molecular: 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