4′-Methylpropiophenone - ≥96% , CAS No.5337-93-9

CAS: 5337-93-9 Cat. No.: M102232 Fórmula: CH₃C₆H₄COC₂H₅ Peso molecular: 148.2 Beilstein Registry Number: 7317 Número EC: 226-267-5

GRADE & PURITY ≥96%

Synonyms

M0768 | NSC852 | NSC-852 | EN300-18061 | 8490C17WAB | 4 inverted exclamation mark -Methylpropiophenone | p-methyl propiophenone | 4'-Methylpropiophenone, 95% | DTXSID00201535 | AS-14586 | 1-(4-methylphenyl)-propan-1-one | 1-(4-methylphenyl)propan-1-one |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

M0768 | NSC852 | NSC-852 | EN300-18061 | 8490C17WAB | 4 inverted exclamation mark -Methylpropiophenone | p-methyl propiophenone | 4'-Methylpropiophenone, 95% | DTXSID00201535 | AS-14586 | 1-(4-methylphenyl)-propan-1-one | 1-(4-methylphenyl)propan-1-one |

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488182693
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182693
• Sonrisas canónicas: CCC(=O)C1=CC=C(C=C1)C
• IUPAC Name: 1-(4-methylphenyl)propan-1-one
• InChIKey: PATYHUUYADUHQS-UHFFFAOYSA-N
• INCHI: 1S/C10H12O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
• Isómeros SMILES: CCC(=O)C1=CC=C(C=C1)C
• WGK Alemania: 3
• Peso molecular: 148.2
• Beilstein: 7317
• Reaxy-Rn: 2042137
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042137&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: Phenylpropanes Benzoyl derivatives Aryl alkyl ketones Toluenes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenylpropane - Aryl alkyl ketone - Benzoyl - Toluene - 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: propanone

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

• Índice de refracción: 1.528
• Punto de inflamación (°F): 228.2 ℉
• Punto de inflamación (°C): 109°C
• Punto de ebullición (°C): 238-239°C
• Punto de fusión (°C): 7°C
• Peso molecular: 148.200 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 148.089 Da
• Monoisotopic Mass: 148.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 132.000
• 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

Referencias

1. Haoyu Long, Yanhao Jiang, Yanjuan Liu, Yuefei Zhang, Wei Chen, Sheng Tang.  (2023)  Chromatographic separation performance of silica microspheres surface-modified with triazine-containing imine-linked covalent organic frameworks.  TALANTA,      [PMID:37126925] [10.1016/j.talanta.2023.124589]

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 5337-93-9, the molecular formula is C10H12O, and the molecular weight is 148.2 g/mol. InChIKey PATYHUUYADUHQS-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.