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

CAS: 2114-42-3 Cat. No.: A151092 Formule: C₉H₁₆ Poids moléculaire: 124.23 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥97%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%(GC)

Noms et identifiants

• Pubchem Sid: 504754897
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754897
• Sourires canoniques: 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
• Isomères SMILES: C=CCC1CCCCC1
• WGK Allemagne: 3
• Poids moléculaire: 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
    • Classe Unsaturated hydrocarbons
      • Subclass Olefins

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

Propriétés chimiques et physiques

• Indice de réfraction: 1.45
• Point d'éclair (°F): 84.2 °F
• Point d'éclair (°C): 29°C(lit.)
• Point d'ébullition (°C): 151°C
• Poids moléculaire: 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

Foire aux questions

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.