Valerophenone - ≥98% , CAS No.1009-14-9

CAS: 1009-14-9 Cat. No.: V107009 Fórmula: C₁₁H₁₄O Peso molecular: 162.23 Beilstein Registry Number: 1907717 Número EC: 213-767-3 PubChem CID: 66093

CALIDAD & PUREZA ≥98%

Synonyms

SY013718 | 1-Phenyl-1-pentanone | Valerophenone, 8CI | 4-methyl butyrophenone | AM20020075 | FT-0657901 | Valerophenone, 99% | NSC 58959 | InChI=1/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 | 1-phenylpentan-1-one, Butyl phenyl ketone | F27Q0

Storage

Room temperature

Shipped In

Normal

Descripción general

Valerophenone is a prochiral ketone which can undergo Norrish Type II reaction and hence can be used as a UV actinometer in photochemical experiments.

Especificaciones

Sinónimos

SY013718 | 1-Phenyl-1-pentanone | Valerophenone, 8CI | 4-methyl butyrophenone | AM20020075 | FT-0657901 | Valerophenone, 99% | NSC 58959 | InChI=1/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 | 1-phenylpentan-1-one, Butyl phenyl ketone | F27Q0

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504754036

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754036

Sonrisas canónicas

CCCCC(=O)C1=CC=CC=C1

IUPAC Name

1-phenylpentan-1-one

InChIKey

XKGLSKVNOSHTAD-UHFFFAOYSA-N

INCHI

1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3

Isómeros SMILES

CCCCC(=O)C1=CC=CC=C1

WGK Alemania

3

PubChem CID

66093

Peso molecular

162.23

Beilstein

1907717

Reaxy-Rn

1907717

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: Butyrophenones Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Butyrophenone - 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: aromatic ketone

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Índice de refracción: 1.5143
• Punto de inflamación (°F): 215.6 °F
• Punto de inflamación (°C): 102 °C
• Punto de ebullición (°C): 244-245°C
• Punto de fusión (°C): -9°C
• Peso molecular: 162.230 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 162.104 Da
• Monoisotopic Mass: 162.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 134.000
• 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