Hexanophenone - ≥98%(GC) , CAS No.942-92-7

CAS: 942-92-7 Cat. No.: H156993 Fórmula: C₁₂H₁₆O Peso molecular: 176.26 Beilstein Registry Number: 7(2)257 Número CE: 213-394-6

GRAU & PUREZA ≥98%(GC)

Synonyms

n-Pentyl phenyl ketone | 1-Benzoylpentane | 2,4,5-Triamino-6-hydroxypyrimidine | H0116 | 1-Phenyl-1-hexanone | F21443 | AS-56450 | n-Amylphenyl ketone | 1-phenyl-hexan-1-one | 1-phenylhexan-1-one | MFCD00009512 | 1-Hexanone, 1-phenyl- | n-Hexanophenone |

Storage

Argon charged,Room temperature

Shipped In

Normal

Especificações

Sinónimos

n-Pentyl phenyl ketone | 1-Benzoylpentane | 2,4,5-Triamino-6-hydroxypyrimidine | H0116 | 1-Phenyl-1-hexanone | F21443 | AS-56450 | n-Amylphenyl ketone | 1-phenyl-hexan-1-one | 1-phenylhexan-1-one | MFCD00009512 | 1-Hexanone, 1-phenyl- | n-Hexanophenone |

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

504754521

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754521

Sorrisos canónicos

CCCCCC(=O)C1=CC=CC=C1

IUPAC Name

1-phenylhexan-1-one

InChIKey

MAHPVQDVMLWUAG-UHFFFAOYSA-N

INCHI

1S/C12H16O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3

SMILES isoméricas

CCCCCC(=O)C1=CC=CC=C1

WGK Alemanha

3

Peso molecular

176.26

Beilstein

7(2)257

Reaxy-Rn

1908667

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1908667&ln=

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: 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

Propriedades químicas e físicas

• Sensibilidade: air sensitive
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de fusão (°C): 25 °C
• Peso molecular: 176.250 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 176.12 Da
• Monoisotopic Mass: 176.12 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 145.000
• 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