2-Cyclohexylphenol - ≥97% , CAS No.119-42-6

CAS: 119-42-6 Cat. No.: C153439 Formule: C₁₂H₁₆O Poids moléculaire: 176.26 Beilstein Registry Number: 6(3)2492 Numéro CE: 204-322-4

GRADE & PURITY ≥97%

Synonyms

Phenol,2-cyclohexyl- | A804280 | CYCLOHEXYLPHENOL | UNII-KIR1PB30LI | 2-CYCLOHEXYLPHENOL | 2-cyclohexyl-phenol | FT-0631681 | D89289 | Q27282273 | DTXSID2059487 | SCHEMBL55659 | W-109438 | A20144 | AI3-09047 | NSC 6093 | Phenol, 2-cyclohexyl- | NSC6093 |

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

Phenol,2-cyclohexyl- | A804280 | CYCLOHEXYLPHENOL | UNII-KIR1PB30LI | 2-CYCLOHEXYLPHENOL | 2-cyclohexyl-phenol | FT-0631681 | D89289 | Q27282273 | DTXSID2059487 | SCHEMBL55659 | W-109438 | A20144 | AI3-09047 | NSC 6093 | Phenol, 2-cyclohexyl- | NSC6093 |

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 504751664
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751664
• Sourires canoniques: C1CCC(CC1)C2=CC=CC=C2O
• IUPAC Name: 2-cyclohexylphenol
• InChIKey: MVRPPTGLVPEMPI-UHFFFAOYSA-N
• INCHI: 1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2
• Isomères SMILES: C1CCC(CC1)C2=CC=CC=C2O
• Poids moléculaire: 176.26
• Beilstein: 6(3)2492
• Reaxy-Rn: 2049065
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2049065&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Cyclohexylphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Cyclohexylphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylphenols
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cyclohexylphenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclohexylphenols. These are compounds containing a cyclohexane lined to a phenol 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

Cibles associées (non humaines)

Aspergillus niger (16508 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive
• Point d'ébullition (°C): 284°C(lit.)
• Point de fusion (°C): 56 °C
• Poids moléculaire: 176.250 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 176.12 Da
• Monoisotopic Mass: 176.12 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 149.000
• 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