Butyrophenone - ≥99% , CAS No.495-40-9

CAS: 495-40-9 Cat. No.: B100860 Formula: C₁₀H₁₂O Peso molecolare: 148.2 Beilstein Registry Number: 508305 Numero EC: 207-799-7

GRADE & PURITY ≥99%

Synonyms

Q421344 | Phenyl propyl ketone | A827738 | NCGC00256194-01 | F0001-1286 | NSC8463NSC 8463 | 1-Butanone, 1-phenyl- | NSC 8463 | propylphenylketone | 1-Phenyl-1-butanone | BBL027757 | UNII-186I11WB5B | BUTYROPHENONE | STL373490 | 3-methylpropiophenone | SY0

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

Q421344 | Phenyl propyl ketone | A827738 | NCGC00256194-01 | F0001-1286 | NSC8463NSC 8463 | 1-Butanone, 1-phenyl- | NSC 8463 | propylphenylketone | 1-Phenyl-1-butanone | BBL027757 | UNII-186I11WB5B | BUTYROPHENONE | STL373490 | 3-methylpropiophenone | SY0

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Tipo di azione

ANTAGONIST

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 488181113
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181113
• Sorrisi canonici: CCCC(=O)C1=CC=CC=C1
• IUPAC Name: 1-phenylbutan-1-one
• InChIKey: FFSAXUULYPJSKH-UHFFFAOYSA-N
• INCHI: 1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
• Isomeri SMILES: CCCC(=O)C1=CC=CC=C1
• WGK Germania: 3
• Peso molecolare: 148.2
• Beilstein: 508305
• Reaxy-Rn: 508305
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508305&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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.52
• Punto di infiammabilità (°F): 206.6 °F
• Punto di infiammabilità (°C): 97℃
• Punto di ebollizione (°C): 228-230°C
• Punto di fusione (°C): 11-13°C
• Peso molecolare: 148.200 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• 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: 123.000
• 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

Riferimenti

1. Yan Wu, Panpan Cao, Yanhao Jiang, Yanjuan Liu, Yuefei Zhang, Wei Chen, Zhengwu Bai, Sheng Tang.  (2022)  Ingenious introduction of aminopropylimidazole to tune the hydrophobic selectivity of dodecyl-bonded stationary phase for environmental organic pollutants.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2022.107933]

2. Xie Chao, Lin Longfei, Huang Liang, Wang Zixin, Jiang Zhiwei, Zhang Zehui, Han Buxing.  (2021)  Zn-Nx sites on N-doped carbon for aerobic oxidative cleavage and esterification of C(CO)-C bonds.  Nature Communications,  12  (1): (1-12).  [PMID:34376654] [10.1038/s41467-021-25118-0]

3. Kun Peng, Qiqin Wang, Weijia Chen, Donghai Xia, Zhengyin Zhou, Yuqiang Wang, Zhengjin Jiang, Fuhai Wu.  (2016)  Phosphatidic acid-functionalized monolithic stationary phase for reversed-phase/cation-exchange mixed mode chromatography.  RSC Advances,  6  (103): (100891-100898).  [PMID:] [10.1039/C6RA21504A]

4. Yuan Xiao, Jialiang Guo, Danni Ran, Qianqian Duan, Jacques Crommen, Zhengjin Jiang.  (2015)  One-pot preparation of a sulfamethoxazole functionalized affinity monolithic column for selective isolation and purification of trypsin.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:25980695] [10.1016/j.chroma.2015.04.046]

5. Qianqian Duan, Chusheng Liu, Zhenghua Liu, Zhengyin Zhou, Weijia Chen, Qiqin Wang, Jacques Crommen, Zhengjin Jiang.  (2014)  Preparation and evaluation of a novel monolithic column containing double octadecyl chains for reverse-phase micro high performance liquid chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:24786656] [10.1016/j.chroma.2014.04.036]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% 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 495-40-9, the molecular formula is C10H12O, and the molecular weight is 148.2 g/mol. InChIKey FFSAXUULYPJSKH-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.