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

CAS: 119-42-6 Cat. No.: C153439 Formula: C₁₂H₁₆O Peso molecolare: 176.26 Beilstein Registry Number: 6(3)2492 Numero EC: 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

Sinonimi

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 |

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 504751664
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751664
• Sorrisi canonici: 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
• Isomeri SMILES: C1CCC(CC1)C2=CC=CC=C2O
• Peso molecolare: 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
• Descrizione: 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

Obiettivi associati (non umani)

Aspergillus niger (16508 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Punto di ebollizione (°C): 284°C(lit.)
• Punto di fusione (°C): 56 °C
• Peso molecolare: 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