1-Octene - ≥98% , CAS No.111-66-0

CAS: 111-66-0 Cat. No.: O108659 Formule: C₈H₁₆ Poids moléculaire: 112.21 Beilstein Registry Number: 1734497 Numéro CE: 203-893-7

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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

Spécifications

Synonymes

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, Afficher plus

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504751592

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

CCCCCCC=C

WGK Allemagne

3

RTECS

RH2207000

Numéro ONU

3295

Groupe d'emballage

I

Poids moléculaire

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
• 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: 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

Cibles associées (humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Miscible with water, ether, alcohol and acetone.
• Sensibilité: Heat sensitive
• Indice de réfraction: 1.408-1.41
• Point d'éclair (°F): 50 °F
• Point d'éclair (°C): 13℃
• Point d'ébullition (°C): 121-123°C
• Point de fusion (°C): -102°C
• Poids moléculaire: 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