Amylcyclohexane - ≥97% , CAS No.4292-92-6

CAS: 4292-92-6 Cat. No.: A151237 Formula: C₁₁H₂₂ Molecular Weight: 154.3 Beilstein Registry Number: 5(4)164 EC Number: 224-296-8

GRADE & PURITY ≥97%

Synonyms

n-Pentylcyclohexane|PENTYLCYCLOHEXANE|pentyl-cyclohexane|Amylcyclohexane|1-Cyclohexylpentane|n-Amyl cyclohexane|Cyclohexane, n-pentyl-|n-Amylcyclohexane|Pentane, 1-cyclohexyl-|Cyclohexane, pentyl-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

n-Pentylcyclohexane | PENTYLCYCLOHEXANE | pentyl-cyclohexane | Amylcyclohexane | 1-Cyclohexylpentane | n-Amyl cyclohexane | Cyclohexane, n-pentyl- | n-Amylcyclohexane | Pentane, 1-cyclohexyl- | Cyclohexane, pentyl-

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid

488182609

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182609

Canonical Smiles

CCCCCC1CCCCC1

IUPAC Name

pentylcyclohexane

InChIKey

HLTMUYBTNSVOFY-UHFFFAOYSA-N

INCHI

1S/C11H22/c1-2-3-5-8-11-9-6-4-7-10-11/h11H,2-10H2,1H3

Isomeric SMILES

CCCCCC1CCCCC1

Molecular Weight

154.3

Beilstein

5(4)164

Reaxy-Rn

1900851

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900851&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Saturated hydrocarbons
      • Subclass Cycloalkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Saturated hydrocarbons
• Subclass: Cycloalkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cycloalkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cycloalkane - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains).
• 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(°C): 66 °C
• Boil Point(°C): 202°C(lit.)
• Melt Point(°C): -58°C(lit.)
• Molecular Weight: 154.290 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 154.172 Da
• Monoisotopic Mass: 154.172 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 80.000
• 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