1-Octene - ≥98% , CAS No.111-66-0

CAS: 111-66-0 Cat. No.: O108659 分子式: C₈H₁₆ 分子量: 112.21 Beilstein Registry Number: 1734497 EC番号: 203-893-7

グレード＆純度 ≥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

概要

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

仕様

同義語

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, もっと見る

仕様と純度

≥98%

保管条件

Room temperature

入荷

FedEx DG Service

純度

≥98%

名前と識別子

パブケム・シド

504751592

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

CCCCCCC=C

WGKドイツ

3

RTECS

RH2207000

UN番号

3295

包装グループ

I

分子量

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
    • 分類 Unsaturated hydrocarbons
      • Subclass Unsaturated aliphatic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Miscible with water, ether, alcohol and acetone.
• 感度: Heat sensitive
• 屈折率: 1.408-1.41
• 引火点（°F）: 50 °F
• 引火点（°C）: 13℃
• 沸点（°C）: 121-123°C
• 融点（°C）: -102°C
• 分子量: 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