Dodecanophenone - ≥98% , CAS No.1674-38-0

CAS: 1674-38-0 Cat. No.: D154406 Fórmula: C₁₈H₂₈O Peso molecular: 260.42 Beilstein Registry Number: 7(3)1291

GRADE & PURITY ≥98%

Synonyms

1-Dodecanone,1-phenyl- | 1-phenyl-dodecan-1-one | 1-Phenyldodecan-1-one | 2-Chloro-4-(diethylamino)-6-(isopropylamino)-s-triazine | AS-57951 | Undecyl phenyl ketone | L0018 | AI3-01173 | MFCD00008967 | SCHEMBL2124997 | J-010366 | Maybridge1_003217 | Dodec

Storage

Room temperature

Shipped In

Normal

Descripción general

Dodecanophenone has been employed as micellar marker in: · micellar electrokinetic chromatography (MEC) systems · determination of octanol-water partition coefficients of pharmaceuticals by using pressure-assisted MEC

Specifications

Sinónimos

1-Dodecanone,1-phenyl- | 1-phenyl-dodecan-1-one | 1-Phenyldodecan-1-one | 2-Chloro-4-(diethylamino)-6-(isopropylamino)-s-triazine | AS-57951 | Undecyl phenyl ketone | L0018 | AI3-01173 | MFCD00008967 | SCHEMBL2124997 | J-010366 | Maybridge1_003217 | Dodec

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

528772081

Sonrisas canónicas

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

IUPAC Name

1-phenyldodecan-1-one

InChIKey

DJNJZIFFCJTUDS-UHFFFAOYSA-N

INCHI

1S/C18H28O/c1-2-3-4-5-6-7-8-9-13-16-18(19)17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3

Isómeros SMILES

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

WGK Alemania

3

Peso molecular

260.42

Beilstein

7(3)1291

Reaxy-Rn

2050785

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2050785&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Butyrophenones Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Butyrophenone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Punto de inflamación (°F): >235.4 °F
• Punto de inflamación (°C): >113 °C
• Punto de ebullición (°C): 201-202℃
• Punto de fusión (°C): 44-46°C
• Peso molecular: 260.399 g/mol
• XLogP3: 6.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 260.214 Da
• Monoisotopic Mass: 260.214 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 216.000
• 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