GRADE & PURITY ≥98%(GC)

Synonyms

Benzoyl cyclohexane | cyclohexyl(phenyl);methanone | DTXSID5048182 | Cyclohexyl(phenyl)methanone # | 0NU53987V8 | Z104477736 | Cyclohexyl phenyl ketone | BRN 2046712 | Cyclohexyl(phenyl)methanone | MFCD00001467 | FT-0624211 | NCGC00257313-01 | InChI=1/C13

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Descripción general

Benzoylcyclohexane on irradiation on a dry silica gel surface, undergo an oxidative cleavage to give adipic acid and subsituted benzoic acid along with the Norrish Type II product. The kinetics of racemization of benzoylcyclohexane (2-benzoylcyclohexanone) in hexane, ethanol and their mixtures has been investigated by time dependence of enantiomeric purity using enantioselective HPLC
It was used to investigate the crosslinked cyclohexyl phenyl compounds under thermal and aquathermal conditions. It was used to examine the effects of molecular changes in the benzophenone molecule on phototoxic behavior.

Specifications

Sinónimos

Benzoyl cyclohexane | cyclohexyl(phenyl);methanone | DTXSID5048182 | Cyclohexyl(phenyl)methanone # | 0NU53987V8 | Z104477736 | Cyclohexyl phenyl ketone | BRN 2046712 | Cyclohexyl(phenyl)methanone | MFCD00001467 | FT-0624211 | NCGC00257313-01 | InChI=1/C13

Especificaciones y pureza

≥98%(GC)

Mecanismos bioquímicos y fisiológicos

Cyclohexyl phenyl ketone induces photohaemolysis after exposure to ultraviolet A-rich irradiation in human erythrocytes。

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504752397
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752397
• Sonrisas canónicas: C1CCC(CC1)C(=O)C2=CC=CC=C2
• IUPAC Name: cyclohexyl(phenyl)methanone
• InChIKey: BMFYCFSWWDXEPB-UHFFFAOYSA-N
• INCHI: 1S/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
• Isómeros SMILES: C1CCC(CC1)C(=O)C2=CC=CC=C2
• WGK Alemania: 3
• RTECS: OB1760000
• Peso molecular: 188.27
• Beilstein: 7(4)1062
• Reaxy-Rn: 2046712
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2046712&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water (slightly), and methanol.
• Sensibilidad: light & Moisture sensitive
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 168 °C/20 mmHg
• Punto de fusión (°C): 56 °C
• Peso molecular: 188.260 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 188.12 Da
• Monoisotopic Mass: 188.12 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 185.000
• 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