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

CAS: 119-42-6 Cat. No.: C153439 Molecular Weight: 176.26 Beilstein Registry Number: 6(3)2492 EC Number: 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

Argon charged,Room temperature

Shipped In

Normal

Specifications

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 |

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504751664
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751664
• Canonical Smiles: 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
• Isomeric SMILES: C1CCC(CC1)C2=CC=CC=C2O
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Cyclohexylphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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

Associated Targets(non-human)

Aspergillus niger (16508 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Boil Point(°C): 284°C(lit.)
• Melt Point(°C): 56 °C
• Molecular Weight: 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