Dodecylbenzene (hard type) - mixture of branched chain isomers , CAS No.25265-78-5

CAS: 25265-78-5 Cat. No.: D303224 Peso molecular: 246.44 Número EC: 246-772-4

GRADE & PURITY mixture of branched chain isomers

Synonyms

MFCD00008974 | Marlican | NSC 102805 | 1-dodecylbenzene | Dodecane, 1-phenyl- | Phenyldodecane | Dodecane, phenyl- | Dodecylbenzene, crude | Benzene, dodecyl- | 1-Phenyldodecane | n-Dodecylbenzene | Laurylbenzene

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

MFCD00008974 | Marlican | NSC 102805 | 1-dodecylbenzene | Dodecane, 1-phenyl- | Phenyldodecane | Dodecane, phenyl- | Dodecylbenzene, crude | Benzene, dodecyl- | 1-Phenyldodecane | n-Dodecylbenzene | Laurylbenzene

Especificaciones y pureza

mixture of branched chain isomers

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCCC1=CC=CC=C1
• IUPAC Name: dodecylbenzene
• InChIKey: KWKXNDCHNDYVRT-UHFFFAOYSA-N
• INCHI: 1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3
• Isómeros SMILES: CCCCCCCCCCCCC1=CC=CC=C1
• Peso molecular: 246.44
• Reaxy-Rn: 1909107
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1909107&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Índice de refracción: 1.49
• Punto de inflamación (°C): 124°C(lit.)
• Peso molecular: 246.400 g/mol
• XLogP3: 8.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 11
• Exact Mass: 246.235 Da
• Monoisotopic Mass: 246.235 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 155.000
• 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

Referencias

1. Dong Cao, Shuai Wang, Xin Ma, Jia Yang, Hong Zhong.  (2023)  Selective Extraction of Cu (II) Using Novel C=O–NOH-Contained Compound-Dodecyl Phenyl Ethyl Hydroxamic Acid and Its Extraction Mechanism.  SOLVENT EXTRACTION AND ION EXCHANGE,      [PMID:] [10.1080/07366299.2023.2229888]