trans-4'-Pentylbi(cyclohexan)-4-one - ≥98% , CAS No.84868-02-0

CAS: 84868-02-0 Cat. No.: T186909 Formula: C₁₇H₃₀O Molecular Weight: 250.4 EC Number: 617-638-6 PubChem CID: 11357162

GRADE & PURITY ≥98%

Synonyms

[4'-Pentyl-1,1'-bicyclohexyl]-4-one | AMY25199 | DS-13784 | FT-0655158 | 4-Pentyldicyclohexylanone | DTXSID601005150 | SY003785 | 4-(trans-4'-n-Pentylcyclohexyl)cyclohexanone | AKOS015964139 | OZLFNAZSDVXEFU-SHTZXODSSA-N | 4-(4-pentylcyclohexyl)cyclohexan

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

[4'-Pentyl-1,1'-bicyclohexyl]-4-one | AMY25199 | DS-13784 | FT-0655158 | 4-Pentyldicyclohexylanone | DTXSID601005150 | SY003785 | 4-(trans-4'-n-Pentylcyclohexyl)cyclohexanone | AKOS015964139 | OZLFNAZSDVXEFU-SHTZXODSSA-N | 4-(4-pentylcyclohexyl)cyclohexan

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766338
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766338
• Canonical Smiles: CCCCCC1CCC(CC1)C2CCC(=O)CC2
• IUPAC Name: 4-(4-pentylcyclohexyl)cyclohexan-1-one
• InChIKey: OZLFNAZSDVXEFU-UHFFFAOYSA-N
• INCHI: 1S/C17H30O/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h14-16H,2-13H2,1H3
• Isomeric SMILES: CCCCCC1CCC(CC1)C2CCC(=O)CC2
• PubChem CID: 11357162
• Molecular Weight: 250.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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

Chemical and Physical Properties

• Flash Point(°C): 153 °C
• Melt Point(°C): 31 °C
• Molecular Weight: 250.400 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 250.23 Da
• Monoisotopic Mass: 250.23 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 240.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 84868-02-0, the molecular formula is C17H30O, and the molecular weight is 250.4 g/mol. InChIKey OZLFNAZSDVXEFU-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.