1-(2,4-Diéthoxyphényl)éthanone - ≥97% , CAS No.22924-18-1

CAS: 22924-18-1 Cat. No.: D294462 Formule: C₁₂H₁₆O₃ Poids moléculaire: 208.254 Numéro CE: 673-352-1

GRADE & PURITY ≥97%

Synonyms

DTXSID30342985 | A816428 | 2',4'-Diethoxyacetophenone | Ethanone,1-(2,4-diethoxyphenyl)- | 2`,4`-Diethoxyacetophenone | 1-(2,4-diethoxyphenyl)ethanone;2',4'-Diethoxyacetophenone | AC-7115 | AS-31307 | 2 inverted exclamation mark ,4 inverted exclamation ma

Storage

Température ambiante,Déshydraté

Shipped In

Normal

Specifications

Synonymes

DTXSID30342985 | A816428 | 2',4'-Diethoxyacetophenone | Ethanone,1-(2,4-diethoxyphenyl)- | 2`,4`-Diethoxyacetophenone | 1-(2,4-diethoxyphenyl)ethanone;2',4'-Diethoxyacetophenone | AC-7115 | AS-31307 | 2 inverted exclamation mark ,4 inverted exclamation ma

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Température ambiante,Déshydraté

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Sourires canoniques

CCOC1=CC(=C(C=C1)C(=O)C)OCC

IUPAC Name

1-(2,4-diethoxyphenyl)ethanone

InChIKey

HVMNBJVJMFQOOZ-UHFFFAOYSA-N

INCHI

1S/C12H16O3/c1-4-14-10-6-7-11(9(3)13)12(8-10)15-5-2/h6-8H,4-5H2,1-3H3

Isomères SMILES

CCOC1=CC(=C(C=C1)C(=O)C)OCC

WGK Allemagne

3

Poids moléculaire

208.254

Reaxy-Rn

1957224

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1957224&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 Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Phenoxy compound - Aryl alkyl ketone - Phenol ether - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ether - 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

• Indice de réfraction: 1.495
• Point d'éclair (°C): 144.8ºC
• Point d'ébullition (°C): 330.5ºC at 760 mmHg
• Point de fusion (°C): 68-70 °C (lit.)
• Poids moléculaire: 208.250 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 208.11 Da
• Monoisotopic Mass: 208.11 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 203.000
• 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