1-Octene - ≥98% , CAS No.111-66-0

CAS: 111-66-0 Cat. No.: O108659 Fórmula: C₈H₁₆ Peso molecular: 112.21 Beilstein Registry Number: 1734497 Número CE: 203-893-7

GRAU & PUREZA ≥98%

Synonyms

1-OCTENE|.alpha.-Octene|C8-9 alpha-Alkenes|Octylene|Octene, 1-|n-1-Octene|Caprylene|OCTENE [INCI]|1-C8H16|1-n-octene|1-Caprylene|1-OCTENE [FHFI]|CAPRYLENE [MI]|alpha-Octylene|Alkenes, C8-9 .alpha.-|.alpha.-Octylene|Neodene 8|1-Octylene|Octene|SHOP C8|OCTENE-1|1-caprylene, Hexylethylene, Oct-1-ene, 1-octylene

Storage

Room temperature

Shipped In

FedEx DG Service

Visão geral

1-Octene is an unsaturated compound that is not directly used as a food additive but may be used as an indirect food additive in the production of food contact materials such as packaging, containers, and other materials that encounter food during processing, packaging, transportation, and storage

Especificações

Sinónimos

1-OCTENE | .alpha.-Octene | C8-9 alpha-Alkenes | Octylene | Octene, 1- | n-1-Octene | Caprylene | OCTENE [INCI] | 1-C8H16 | 1-n-octene | 1-Caprylene | 1-OCTENE [FHFI] | CAPRYLENE [MI] | alpha-Octylene | Alkenes, C8-9 .alpha.- | .alpha.-Octylene | Neodene 8 | 1-Octylene | Octene | SHOP C8 | OCTENE-1 | 1-caprylene, Hexylethylene, Oct-1-ene, Show more

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504751592

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751592

Sorrisos canónicos

CCCCCCC=C

IUPAC Name

oct-1-ene

InChIKey

KWKAKUADMBZCLK-UHFFFAOYSA-N

INCHI

1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3

SMILES isoméricas

CCCCCCC=C

WGK Alemanha

3

RTECS

RH2207000

Número UN

3295

Grupo de embalagem

I

Peso molecular

112.21

Beilstein

1734497

Reaxy-Rn

1734497

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734497&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: octene

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)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

Lymphoblastoid cell (5959 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Miscible with water, ether, alcohol and acetone.
• Sensibilidade: Heat sensitive
• Índice de refração: 1.408-1.41
• Ponto de inflamação (°F): 50 °F
• Ponto de inflamação (°C): 13℃
• Ponto de ebulição (°C): 121-123°C
• Ponto de fusão (°C): -102°C
• Peso molecular: 112.210 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 112.125 Da
• Monoisotopic Mass: 112.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 46.000
• 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