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 CE: 213-767-3 PubChem CID: 66093

GRAU & 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

Visão geral

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

Especificações

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504754036

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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

WGK Alemanha

3

PubChem CID

66093

Peso molecular

162.23

Beilstein

1907717

Reaxy-Rn

1907717

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrição: 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 ação

Propriedades químicas e físicas

• Solubilidade: Insoluble in water.
• Índice de refração: 1.5143
• Ponto de inflamação (°F): 215.6 °F
• Ponto de inflamação (°C): 102 °C
• Ponto de ebulição (°C): 244-245°C
• Ponto de fusão (°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