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 CE: 209-753-1

GRAU & 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

Especificações

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

Especificações e pureza

Standard for GC

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice,FedEx DG Service

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Standard for GC

Nomes e identificadores

Pubchem Sid

508807311

Sorrisos canónicos

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

SMILES isoméricas

CCCCC=C

WGK Alemanha

1

RTECS

MP6670000

Número UN

2370

Grupo de embalagem

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
    • Classe Unsaturated hydrocarbons
      • Subclass Unsaturated aliphatic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: 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
• Descrição: 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

Alvos associados (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 ação

Propriedades químicas e físicas

• Solubilidade: Insoluble in water, soluble in alcohol, ether and most other organic solvents.
• Índice de refração: 1.3867-1.3887
• Ponto de inflamação (°F): −19 °F
• Ponto de inflamação (°C): -26℃
• Ponto de ebulição (°C): 60-66 °C(lit.)
• Ponto de fusão (°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