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

CAS: 98-86-2 Cat. No.: A103669 Formule: C₈H₈O Poids moléculaire: 120.15 Beilstein Registry Number: 605842 Numéro CE: 202-708-7

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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

Spécifications

Synonymes

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

Spécifications et pureté

≥99%(GC)

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Pureté

≥99%(GC)

Noms et identifiants

Pubchem Sid

504751334

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

1

RTECS

AM5250000

Numéro ONU

1993

Groupe d'emballage

I

Poids moléculaire

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
• Description: 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water (6.13 mg/ml at 25° C), chloroform, ethanol, ether, and acetone.
• Sensibilité: Moisture sensitive.
• Point de congélation (°C): 19 °C
• Indice de réfraction: 1.535
• Point d'éclair (°F): 179.6 °F
• Point d'éclair (°C): 82 °C
• Point d'ébullition (°C): 202°C
• Point de fusion (°C): 20.5°C
• Poids moléculaire: 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

Foire aux questions

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.