Acetophenone - ≥99%(GC) , CAS No.98-86-2

CAS: 98-86-2 Cat. No.: A103669 Fórmula: C₈H₈O Peso molecular: 120.15 Beilstein Registry Number: 605842 Número CE: 202-708-7

GRAU & PUREZA ≥99%(GC)

Synonyms

FT-0637564 | MFCD00008724 | alpha-Acetophenone | MFCD00064447 | RK493WHV10 | 1-Phenylethanone (acetophenone) | Benzoylmethide | Tox21_300343 | ACETOPHENONE [FHFI] | acetyl-benzen | Acetylbenzene | Acetyl-Benzene | Ethanone-2,2,2-d3, 1-(phenyl-d5)- | HY-Y0

Storage

Room temperature,Desiccated

Shipped In

Normal

Visão geral

Acetophenone (AP, methyl phenyl ketone) is a common industrial solvent. It can be synthesized from 1-phenylethanol in the presence of PdAu-NPs-TiO2 (titanium dioxide-supported palladium gold bimetallic nanoparticles) hybrid. Its vacuum ultraviolet absorption spectrum shows absorption bands at 196, 191, 179 and 167mμ.AP reacts with α-naphtylphenylsilane in the presence of N-chelate ligands based on chiral oxazolines to undergo hydrosilylation with high enantioselectivity. It can also undergo hydrogenation reaction in the presence of different transition metal catalysts under different conditions

Especificações

Sinónimos

FT-0637564 | MFCD00008724 | alpha-Acetophenone | MFCD00064447 | RK493WHV10 | 1-Phenylethanone (acetophenone) | Benzoylmethide | Tox21_300343 | ACETOPHENONE [FHFI] | acetyl-benzen | Acetylbenzene | Acetyl-Benzene | Ethanone-2,2,2-d3, 1-(phenyl-d5)- | HY-Y0

Especificações e pureza

≥99%(GC)

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

Normal

Pureza

≥99%(GC)

Nomes e identificadores

Pubchem Sid

504751334

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751334

Sorrisos canónicos

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

IUPAC Name

1-phenylethanone

InChIKey

KWOLFJPFCHCOCG-UHFFFAOYSA-N

INCHI

1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3

SMILES isoméricas

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

WGK Alemanha

1

RTECS

AM5250000

Número UN

1993

Grupo de embalagem

I

Peso molecular

120.15

Beilstein

605842

Reaxy-Rn

605842

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605842&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: Acetophenones Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - 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: an aromatic compound - a methyl-ethyl-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

Alvos associados (humanos)

TYR Tclin Tyrosinase (717 Activities)

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GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

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ALB Tchem Serum albumin (2651 Activities)

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ROCK1 Tclin Rho-associated protein kinase 1 (4723 Activities)

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HepG2 (196354 Activities)

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RORA Tchem Nuclear receptor ROR-alpha (562 Activities)

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Alvos associados (não humanos)

Spinacia oleracea (250 Activities)

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Lactuca sativa (1092 Activities)

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Bursaphelenchus xylophilus (372 Activities)

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Akr1c9 3-alpha-hydroxysteroid dehydrogenase (27 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Trifolium pratense (73 Activities)

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Physalis ixocarpa (96 Activities)

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Lolium multiflorum (260 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water (6.13 mg/ml at 25° C), chloroform, ethanol, ether, and acetone.
• Sensibilidade: Moisture sensitive.
• Ponto de congelamento (°C): 19 °C
• Índice de refração: 1.535
• Ponto de inflamação (°F): 179.6 °F
• Ponto de inflamação (°C): 82 °C
• Ponto de ebulição (°C): 202°C
• Ponto de fusão (°C): 20.5°C
• Peso molecular: 120.150 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 120.058 Da
• Monoisotopic Mass: 120.058 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 101.000
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

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