1-Phenylcyclohexanol - ≥95% , CAS No.1589-60-2

CAS: 1589-60-2 Cat. No.: P160681 Formula: C₁₂H₁₆O Peso molecolare: 176.26 Numero EC: 216-456-0 PubChem CID: 15319

GRADE & PURITY ≥95%

Synonyms

Maybridge1_002485 | Benzene, cyclohex-1-yl-1-ol- | SCHEMBL60129 | AKOS003392307 | 1-phenyl-cyclohexan-1-ol | 1-phenylcyclohexan-1-ol | 8WL3HZ5FB3 | UNII-8WL3HZ5FB3 | DTXSID80166537 | 1-Phenyl-1-cyclohexanol | AMY7867 | BRN 1818360 | CDS1_000197 | HMS548I2

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

Maybridge1_002485 | Benzene, cyclohex-1-yl-1-ol- | SCHEMBL60129 | AKOS003392307 | 1-phenyl-cyclohexan-1-ol | 1-phenylcyclohexan-1-ol | 8WL3HZ5FB3 | UNII-8WL3HZ5FB3 | DTXSID80166537 | 1-Phenyl-1-cyclohexanol | AMY7867 | BRN 1818360 | CDS1_000197 | HMS548I2

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 488182102
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182102
• Sorrisi canonici: C1CCC(CC1)(C2=CC=CC=C2)O
• IUPAC Name: 1-phenylcyclohexan-1-ol
• InChIKey: DTTDXHDYTWQDCS-UHFFFAOYSA-N
• INCHI: 1S/C12H16O/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2
• Isomeri SMILES: C1CCC(CC1)(C2=CC=CC=C2)O
• RTECS: GW0699900
• PubChem CID: 15319
• Peso molecolare: 176.26
• Reaxy-Rn: 1818360

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Benzene and substituted derivatives Tertiary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cyclohexanol - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Cyclic alcohol - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
• 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Punto di ebollizione (°C): 100°C/0.5mmHg(lit.)
• Punto di fusione (°C): 63 °C
• Peso molecolare: 176.250 g/mol
• XLogP3: 2.600
• 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: 153.000
• 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

Riferimenti

1. Yufei Yang, Yadong Zhang.  (2021)  An alternative route for the preparation of phenol: Decomposition of cyclohexylbenzene-1-hydroperoxide.  INTERNATIONAL JOURNAL OF CHEMICAL KINETICS,  54  (2): (71-80).  [PMID:] [10.1002/kin.21542]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1589-60-2, the molecular formula is C12H16O, and the molecular weight is 176.26 g/mol. InChIKey DTTDXHDYTWQDCS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.