4-Dodecylphenol - ≥98% , CAS No.104-43-8

CAS: 104-43-8 Cat. No.: D404299 Peso molecular: 262.44 Número EC: 203-202-9

GRADE & PURITY ≥98%

Synonyms

Phenol, 4-dodecyl- | EN300-118409 | Q27116044 | Phenol, p-dodecyl- | AKOS016010820 | DTXCID402508 | CHEBI:34402 | UNII-EZF5Y6P2G8 | 4-DODECYLBENZOLOL | D90418 | BCP25278 | D5681 | Tox21_301020 | FT-0631570 | Para-dodecyl phenol | p-Dodecylphenol | 4-dodec

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Phenol, 4-dodecyl- | EN300-118409 | Q27116044 | Phenol, p-dodecyl- | AKOS016010820 | DTXCID402508 | CHEBI:34402 | UNII-EZF5Y6P2G8 | 4-DODECYLBENZOLOL | D90418 | BCP25278 | D5681 | Tox21_301020 | FT-0631570 | Para-dodecyl phenol | p-Dodecylphenol | 4-dodec

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCCC1=CC=C(C=C1)O
• IUPAC Name: 4-dodecylphenol
• InChIKey: KJWMCPYEODZESQ-UHFFFAOYSA-N
• INCHI: 1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16,19H,2-12H2,1H3
• Isómeros SMILES: CCCCCCCCCCCCC1=CC=C(C=C1)O
• Número ONU: 2430
• Grupo de embalaje: III
• Peso molecular: 262.44
• Reaxy-Rn: 1962860
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1962860&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: 1-hydroxy-2-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-2-unsubstituted benzenoids
• Alternative Parents: Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
• External Descriptors: phenols

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Punto de ebullición (°C): 175 °C/2 mmHg
• Punto de fusión (°C): 66 °C
• Peso molecular: 262.400 g/mol
• XLogP3: 7.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 262.23 Da
• Monoisotopic Mass: 262.23 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 182.000
• 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. Shanshan Liu, Qibin Chen, Yujie Sheng, Jincheng Shen, Changjun Peng, Honglai Liu.  (2015)  Unraveling the forming mechanism of hierarchical helices via self-assembly of an achiral supramolecular polymer brush.  Polymer Chemistry,  6  (21): (3926-3933).  [PMID:] [10.1039/C5PY00163C]