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

CAS: 577-16-2 Cat. No.: M106449 Fórmula: C₉H₁₀O Peso molecular: 134.18 Beilstein Registry Number: 907005 Número CE: 209-408-5

GRAU & PUREZA ≥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

Store at 2-8°C

Shipped In

Wet ice

Especificações

Sinónimos

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 |

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504752107

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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

WGK Alemanha

3

Peso molecular

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
• 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: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in ethanol. Insoluble in water.
• Sensibilidade: heat sensitive
• Índice de refração: 1.5318
• Ponto de inflamação (°F): 168.8 °F
• Ponto de inflamação (°C): 84℃
• Ponto de ebulição (°C): 214°C
• Peso molecular: 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