Cyclohexanepentanoic acid - ≥98% , CAS No.5962-88-9

CAS: 5962-88-9 Cat. No.: C472526 Summenformel: C₆H₁₁(CH₂)₄CO₂H Molekulargewicht: 184.28 EG-Nummer: 628-291-5

QUALITÄT & REINHEIT ≥98%

Synonyms

5-cyclohexylpentanoic acid|Cyclohexanevaleric acid|Cyclohexane-valeric acid|Cyclohexanepentanoic acid|5-Cyclohexylvaleric acid

Storage

Room temperature

Übersicht

Description

Cyclohexanepentanoic acid (5-Cyclohexylvaleric acid) was used as a growth medium forPseudomonas oleovoransfor production of polymers containing cyclohexyl units.

Spezifikationen

Synonyme

5-cyclohexylpentanoic acid | Cyclohexanevaleric acid | Cyclohexane-valeric acid | Cyclohexanepentanoic acid | 5-Cyclohexylvaleric acid

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504756238

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756238

Kanonisches Lächeln

C1CCC(CC1)CCCCC(=O)O

IUPAC Name

5-cyclohexylpentanoic acid

InChIKey

YMUHUYBRWUUAJF-UHFFFAOYSA-N

INCHI

1S/C11H20O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h10H,1-9H2,(H,12,13)

Isomere SMILES

C1CCC(CC1)CCCCC(=O)O

WGK Deutschland

3

Molekulargewicht

184.28

Reaxy-Rn

2083550

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2083550&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbocyclic fatty acids
• Alternative Parents: Medium-chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Carbocyclic fatty acid - Medium-chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as carbocyclic fatty acids. These are fatty acids containing a carbocyclic ring .
• 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.4656 (lit.)
• Flammpunkt (°F): >235.4 °F
• Flammpunkt (°C): >113 °C
• Siedepunkt (°C): 126-127 °C/0.5 mmHg (lit.)
• Schmelzpunkt (°C): 16-17 °C (lit.)
• Molekulargewicht: 184.270 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 184.146 Da
• Monoisotopic Mass: 184.146 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 148.000
• 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

Häufig gestellte Fragen

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 room temperature.

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

The CAS Number is 5962-88-9, the molecular formula is C6H11(CH2)4CO2H, and the molecular weight is 184.28 g/mol. InChIKey YMUHUYBRWUUAJF-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.