3-Pentadecylphenol - ≥90%(mixture of isomers) , CAS No.501-24-6

CAS: 501-24-6 Cat. No.: P1373804 Formule: C₂₁H₃₆O Poids moléculaire: 304.52 Numéro CE: 207-921-9

GRADE & PURITY ≥90%(mixture of isomers)

Synonyms

1-Hydroxy-3-pentadecylbenzene | Hydroginkgol | DTXSID9060108 | Cyclogallipharaol | Tetrahydro-Anacardol | 2-Deoxy-urushiol I | m-Pentadecylphenol | AKOS015916272 | Cardanol C15:0 | PTFIPECGHSYQNR-UHFFFAOYSA- | EINECS 207-921-9

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

1-Hydroxy-3-pentadecylbenzene | Hydroginkgol | DTXSID9060108 | Cyclogallipharaol | Tetrahydro-Anacardol | 2-Deoxy-urushiol I | m-Pentadecylphenol | AKOS015916272 | Cardanol C15:0 | PTFIPECGHSYQNR-UHFFFAOYSA- | EINECS 207-921-9

Spécifications et pureté

≥90%(mixture of isomers)

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

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

Pureté

≥90%(mixture of isomers)

Noms et identifiants

Sourires canoniques

CCCCCCCCCCCCCCCC1=CC(=CC=C1)O

IUPAC Name

3-pentadecylphenol

InChIKey

PTFIPECGHSYQNR-UHFFFAOYSA-N

INCHI

1S/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h15,17-19,22H,2-14,16H2,1H3

Isomères SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)O

WGK Allemagne

3

Poids moléculaire

304.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass 1-hydroxy-4-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: 1-hydroxy-4-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-4-unsubstituted benzenoids
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-4-unsubstituted benzenoid - 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-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
• 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

• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): 113 °C
• Point d'ébullition (°C): 232°C/8mmHg(lit.)
• Point de fusion (°C): 50 °C
• Poids moléculaire: 304.500 g/mol
• XLogP3: 9.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 304.277 Da
• Monoisotopic Mass: 304.277 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 226.000
• 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