Allylcyclopentane - ≥97% , CAS No.3524-75-2

CAS: 3524-75-2 Cat. No.: A332839 Molecular Weight: 110.2 EC Number: 222-542-9

GRADE & PURITY ≥97%

Synonyms

Cyclopentane, 2-propenyl- | NSC 74152 | Allyl cyclopentane | 2-propen-1-ylcyclopentane | (2-Propenyl)cyclopentane | InChI=1/C8H14/c1-2-5-8-6-3-4-7-8/h2,8H,1,3-7H | Prop-2-enylcyclopentane | EINECS 222-542-9 | Allylcyclopentane, 97% | UNII-CKL3Z8PQ4A | Cyc

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Cyclopentane, 2-propenyl- | NSC 74152 | Allyl cyclopentane | 2-propen-1-ylcyclopentane | (2-Propenyl)cyclopentane | InChI=1/C8H14/c1-2-5-8-6-3-4-7-8/h2, 8H, 1, 3-7H | Prop-2-enylcyclopentane | EINECS 222-542-9 | Allylcyclopentane, 97% | UNII-CKL3Z8PQ4A | Cyc

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504755140
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755140
• Canonical Smiles: C=CCC1CCCC1
• IUPAC Name: prop-2-enylcyclopentane
• InChIKey: NHIDGVQVYHCGEK-UHFFFAOYSA-N
• INCHI: 1S/C8H14/c1-2-5-8-6-3-4-7-8/h2,8H,1,3-7H2
• Isomeric SMILES: C=CCC1CCCC1
• WGK Germany: 2
• Molecular Weight: 110.2
• Reaxy-Rn: 2036419
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2036419&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: 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

Chemical and Physical Properties

• Refractive Index: 1.44
• Flash Point(°F): 55.4 °F
• Flash Point(°C): 13 °C
• Boil Point(°C): 125-127 °C/750 mmHg
• Melt Point(°C): -111°C
• Molecular Weight: 110.200 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• 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: 68.100
• 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