Allylcyclohexane - ≥97%(GC) , CAS No.2114-42-3

CAS: 2114-42-3 Cat. No.: A151092 分子式: C₉H₁₆ 分子量: 124.23 EC番号: 218-316-4

GRADE & PURITY ≥97%(GC)

Synonyms

J-013877 | Allylcyclohexane, >/=97% | NSC 110882 | KVOZXXSUSRZIKD-UHFFFAOYSA- | DTXSID40175382 | 1-Cyclohexyl-2-propene | InChI=1/C9H16/c1-2-6-9-7-4-3-5-8-9/h2,9H,1,3-8H2 | Release | A1201 | prop-2-enylcyclohexane | 3-Cyclohexyl-1-propene | D88393 | MFCD0

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

J-013877 | Allylcyclohexane, >/=97% | NSC 110882 | KVOZXXSUSRZIKD-UHFFFAOYSA- | DTXSID40175382 | 1-Cyclohexyl-2-propene | InChI=1/C9H16/c1-2-6-9-7-4-3-5-8-9/h2,9H,1,3-8H2 | Release | A1201 | prop-2-enylcyclohexane | 3-Cyclohexyl-1-propene | D88393 | MFCD0

仕様と純度

≥97%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥97%(GC)

名前と識別子

• パブケム・シド: 504754897
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504754897
• カノニカル・スマイル: C=CCC1CCCCC1
• IUPAC Name: prop-2-enylcyclohexane
• InChIKey: KVOZXXSUSRZIKD-UHFFFAOYSA-N
• INCHI: 1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h2,9H,1,3-8H2
• 異性体SMILES: C=CCC1CCCCC1
• WGKドイツ: 3
• 分子量: 124.23
• Reaxy-Rn: 2037346
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2037346&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 分類 Unsaturated hydrocarbons
      • Subclass Olefins

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclic olefins
• Alternative Parents: Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic olefin - Unsaturated aliphatic hydrocarbon - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as cyclic olefins. These are olefins that contain at least one ring in their structure.
• External Descriptors: Not available

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

化学的性質と物理的性質

• 屈折率: 1.45
• 引火点（°F）: 84.2 °F
• 引火点（°C）: 29°C(lit.)
• 沸点（°C）: 151°C
• 分子量: 124.220 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 124.125 Da
• Monoisotopic Mass: 124.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 78.000
• 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

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2114-42-3, the molecular formula is C9H16, and the molecular weight is 124.23 g/mol. InChIKey KVOZXXSUSRZIKD-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.