Cyclooctene - ≥95% , CAS No.931-88-4

CAS: 931-88-4 Cat. No.: C100852 Molecular Weight: 110.2 Beilstein Registry Number: 1901031 EC Number: 213-245-5

GRADE & PURITY ≥95%

Synonyms

Cyclooctene 100 microg/mL in Acetonitrile | MFCD00001753 | CYCLOOCTENE | AE340T3540 | Cyclooctene, analytical standard | cis-Cyclooctene | cis-Cyclooctene, 95%, stab. with IRGANOX 1076 | cis-Cyclooctene, contains 100-200 ppm Irganox 1076 FD as antioxidant

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

Cyclooctene 100 microg/mL in Acetonitrile | MFCD00001753 | CYCLOOCTENE | AE340T3540 | Cyclooctene, analytical standard | cis-Cyclooctene | cis-Cyclooctene, 95%, stab. with IRGANOX 1076 | cis-Cyclooctene, contains 100-200 ppm Irganox 1076 FD as antioxidant

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488190871
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190871
• Canonical Smiles: C1CCCC=CCC1
• IUPAC Name: cyclooctene
• InChIKey: URYYVOIYTNXXBN-UPHRSURJSA-N
• INCHI: 1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1-
• Isomeric SMILES: C1CCC/C=C\CC1
• WGK Germany: 3
• UN Number: 3295
• Packing Group: III
• Molecular Weight: 110.2
• Beilstein: 1901031
• Reaxy-Rn: 8478022
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8478022&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Unsaturated hydrocarbons
      • Subclass Olefins
        • Level5 Cyclic olefins
          • Level6 Cycloalkenes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Cyclic olefins
• Direct Parent: Cycloalkenes
• Alternative Parents: Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cycloalkene - Unsaturated aliphatic hydrocarbon - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cycloalkenes. These are unsaturated monocyclic hydrocarbons having one endocyclic double bond.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water
• Refractive Index: 1.47
• Flash Point(°F): 24℃
• Flash Point(°C): 24℃
• Boil Point(°C): 145-146°C
• Melt Point(°C): -16°C
• Molecular Weight: 110.200 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 110.11 Da
• Monoisotopic Mass: 110.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 62.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

References

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