Cyclopentene - Standard for GC, ≥99.5%(GC) , CAS No.142-29-0

CAS: 142-29-0 Cat. No.: C104479 Molecular Weight: 68.12 Beilstein Registry Number: 635707 EC Number: 205-532-9

GRADE & PURITY Standard for GC, ≥99.5%(GC)

Synonyms

UN2246 | WLN: L5UTJ | InChI=1/C5H8/c1-2-4-5-3-1/h1-2H,3-5H | Cyclopentene [UN2246] [Flammable liquid] | NCGC00356963-01 | Tox21_303765 | F0001-0496 | DTXCID609171 | UNII-ONM2CKV81Z | J-007633 | EN300-21672 | NSC 5160 | C5H8 | FT-0624263 | Cyclopentene, p

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonyms

UN2246 | WLN: L5UTJ | InChI=1/C5H8/c1-2-4-5-3-1/h1-2H, 3-5H | Cyclopentene [UN2246] [Flammable liquid] | NCGC00356963-01 | Tox21_303765 | F0001-0496 | DTXCID609171 | UNII-ONM2CKV81Z | J-007633 | EN300-21672 | NSC 5160 | C5H8 | FT-0624263 | Cyclopentene, p

Specifications & Purity

Standard for GC, ≥99.5%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice, FedEx DG Service

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

Grade

Standard for GC

Purity

≥99.5%(GC)

Names and Identifiers

• Canonical Smiles: C1CC=CC1
• IUPAC Name: cyclopentene
• InChIKey: LPIQUOYDBNQMRZ-UHFFFAOYSA-N
• INCHI: 1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2
• Isomeric SMILES: C1CC=CC1
• WGK Germany: 3
• RTECS: GY5950000
• UN Number: 2246
• Packing Group: II
• Molecular Weight: 68.12
• Beilstein: 635707
• Reaxy-Rn: 635707
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635707&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: cycloalkene

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

• Refractive Index: 1.42
• Flash Point(°F): -29.2 °F
• Flash Point(°C): -34 °C
• Boil Point(°C): 46 °C
• Melt Point(°C): -135°C(lit.)
• Molecular Weight: 68.120 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 68.0626 Da
• Monoisotopic Mass: 68.0626 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 38.000
• 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

References

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