4-Cyclohexylbenzoic Acid - ≥98%(GC) , CAS No.20029-52-1

CAS: 20029-52-1 Cat. No.: C134346 Formule: C₁₃H₁₆O₂ Poids moléculaire: 204.27 Numéro CE: 243-472-5

QUALITÉ & PURETÉ ≥98%(GC)

Synonyms

STK020874 | FT-0618320 | p-cyclohexylbenzoic acid | 4-cyclohexylbenzoic acid, AldrichCPR | 4-Quinolinecarboxylic acid, 2-(2-furanyl)- | AE-641/01665049 | 4-Cyclohexylbenzoic acid | 4-Cyclohexyl-benzoic acid | 4cyclohexylbenzoic acid | EN300-11611 | Oprea1

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

STK020874 | FT-0618320 | p-cyclohexylbenzoic acid | 4-cyclohexylbenzoic acid, AldrichCPR | 4-Quinolinecarboxylic acid, 2-(2-furanyl)- | AE-641/01665049 | 4-Cyclohexylbenzoic acid | 4-Cyclohexyl-benzoic acid | 4cyclohexylbenzoic acid | EN300-11611 | Oprea1

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

504755935

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755935

Sourires canoniques

C1CCC(CC1)C2=CC=C(C=C2)C(=O)O

IUPAC Name

4-cyclohexylbenzoic acid

InChIKey

QCIWHVKGVVQHIY-UHFFFAOYSA-N

INCHI

1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15)

Isomères SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)O

Poids moléculaire

204.27

Reaxy-Rn

1966671

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1966671&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids
• Alternative Parents: Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid - Benzoyl - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 194-198°C
• Poids moléculaire: 204.260 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 204.115 Da
• Monoisotopic Mass: 204.115 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 211.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

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

The CAS Number is 20029-52-1, the molecular formula is C13H16O2, and the molecular weight is 204.27 g/mol. InChIKey QCIWHVKGVVQHIY-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.