2'-Méthylacétophénone - ≥98% , CAS No.577-16-2

CAS: 577-16-2 Cat. No.: M106449 Formule: C₉H₁₀O Poids moléculaire: 134.18 Beilstein Registry Number: 907005 Numéro CE: 209-408-5

QUALITÉ & PURETÉ ≥98%

Synonyms

DTXSID501015360 | 2'-Methylacetophenone, >=98% | ortho-methylacetophenone | 1-(Methylphenyl)-Ethanone | 2'-Methylacetylphenone | AC-15885 | InChI=1/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H | MFCD00008734 | SY002283 | 2?-METHYLACETOPHENONE | FT-0613001 |

Storage

A conserver entre 2 et 8°C

Shipped In

Glace humide

Spécifications

Synonymes

DTXSID501015360 | 2'-Methylacetophenone, >=98% | ortho-methylacetophenone | 1-(Methylphenyl)-Ethanone | 2'-Methylacetylphenone | AC-15885 | InChI=1/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H | MFCD00008734 | SY002283 | 2?-METHYLACETOPHENONE | FT-0613001 |

Spécifications et pureté

≥98%

Conditions de stockage de stockage

A conserver entre 2 et 8°C

Expédié en

Glace humide

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504752107

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752107

Sourires canoniques

CC1=CC=CC=C1C(=O)C

IUPAC Name

1-(2-methylphenyl)ethanone

InChIKey

YXWWHNCQZBVZPV-UHFFFAOYSA-N

INCHI

1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3

Isomères SMILES

CC1=CC=CC=C1C(=O)C

WGK Allemagne

3

Poids moléculaire

134.18

Beilstein

907005

Reaxy-Rn

907005

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=907005&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 Toluenes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - Toluene - 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: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in ethanol. Insoluble in water.
• Sensibilité: heat sensitive
• Indice de réfraction: 1.5318
• Point d'éclair (°F): 168.8 °F
• Point d'éclair (°C): 84℃
• Point d'ébullition (°C): 214°C
• Poids moléculaire: 134.170 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 134.073 Da
• Monoisotopic Mass: 134.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• 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