2-Hexylcyclopentanone - ≥96%(GC) , CAS No.13074-65-2

CAS: 13074-65-2 Cat. No.: H117489 Formule: C₁₁H₂₀O Poids moléculaire: 168.28 Numéro CE: 235-970-6

GRADE & PURITY ≥96%(GC)

Synonyms

2-Hexylcyclopentanone|13074-65-2|2-n-Hexylcyclopentanone|2-Hexylcyclopentan-1-one|Cyclopentanone, 2-hexyl-|97O72GYM1E|BRN 2041950|Cyclopentanone,2-hexyl-|EINECS 235-970-6|Jasmatone|2-hexyl-1-cyclopentanone|2-hexyl-cyclopentan-1-one|UNII-97O72GYM1E|4-07-00

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

2-Hexylcyclopentanone | 13074-65-2 | 2-n-Hexylcyclopentanone | 2-Hexylcyclopentan-1-one | Cyclopentanone, 2-hexyl- | 97O72GYM1E | BRN 2041950 | Cyclopentanone,2-hexyl- | EINECS 235-970-6 | Jasmatone | 2-hexyl-1-cyclopentanone | 2-hexyl-cyclopentan-1-one | UNII-97O72GYM1E | 4-07-00

Spécifications et pureté

≥96%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥96%(GC)

Noms et identifiants

Pubchem Sid

504756711

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756711

Sourires canoniques

CCCCCCC1CCCC1=O

IUPAC Name

2-hexylcyclopentan-1-one

InChIKey

JTHVYOIHZNYRCC-UHFFFAOYSA-N

INCHI

1S/C11H20O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h10H,2-9H2,1H3

Isomères SMILES

CCCCCCC1CCCC1=O

Poids moléculaire

168.28

Reaxy-Rn

2041950

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041950&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Cyclic ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
• 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: 1.4495
• Point d'éclair (°F): 112°C(lit.)
• Point d'éclair (°C): 112°C(lit.)
• Point d'ébullition (°C): 246°C
• Poids moléculaire: 168.280 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 168.151 Da
• Monoisotopic Mass: 168.151 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 140.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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 ≥96% 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 13074-65-2, the molecular formula is C11H20O, and the molecular weight is 168.28 g/mol. InChIKey JTHVYOIHZNYRCC-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.