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

CAS: 104-43-8 Cat. No.: D404299 Formule: C₁₈H₃₀O Poids moléculaire: 262.44 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: 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
• Isomères SMILES: CCCCCCCCCCCCC1=CC=C(C=C1)O
• Numéro ONU: 2430
• Groupe d'emballage: III
• Poids moléculaire: 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
    • Classe Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive
• Point d'ébullition (°C): 175 °C/2 mmHg
• Point de fusion (°C): 66 °C
• Poids moléculaire: 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

Références

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]