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

CAS: 119-42-6 Cat. No.: C153439 Summenformel: C₁₂H₁₆O Molekulargewicht: 176.26 Beilstein Registry Number: 6(3)2492 EG-Nummer: 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

Synonyme

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 |

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504751664
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751664
• Kanonisches Lächeln: 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
• Isomere SMILES: C1CCC(CC1)C2=CC=CC=C2O
• Molekulargewicht: 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
    • Klasse Benzene and substituted derivatives
      • Subclass Cyclohexylphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Siedepunkt (°C): 284°C(lit.)
• Schmelzpunkt (°C): 56 °C
• Molekulargewicht: 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