4-Cyclopentylphenol - ≥95% , CAS No.1518-83-8

CAS: 1518-83-8 Cat. No.: C477108 Fórmula: C₅H₉C₆H₄OH Peso molecular: 162.23 Número CE: 620-780-1

GRADE & PURITY ≥95%

Synonyms

Phenol, 4-cyclopentyl- | AKOS015916279 | 4-Cyclopentylphenol, technical grade, 95% | STK962945 | NSC407856 | NSC-407856 | SCHEMBL56284 | AS-57237 | 4-CYCLOPENTYLPHENOL | 4-cyclopentyl-phenol | NSC 407856 | AI3-22766 | DTXSID60164874 | FT-0697731 | Phenol,

Storage

Room temperature

Specifications

Sinónimos

Phenol, 4-cyclopentyl- | AKOS015916279 | 4-Cyclopentylphenol, technical grade, 95% | STK962945 | NSC407856 | NSC-407856 | SCHEMBL56284 | AS-57237 | 4-CYCLOPENTYLPHENOL | 4-cyclopentyl-phenol | NSC 407856 | AI3-22766 | DTXSID60164874 | FT-0697731 | Phenol,

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

488182079

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182079

Sorrisos canónicos

C1CCC(C1)C2=CC=C(C=C2)O

IUPAC Name

4-cyclopentylphenol

InChIKey

SNBKPVVDUBFDEJ-UHFFFAOYSA-N

INCHI

1S/C11H14O/c12-11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9,12H,1-4H2

SMILES isoméricas

C1CCC(C1)C2=CC=C(C=C2)O

WGK Alemanha

3

Peso molecular

162.23

Reaxy-Rn

2046128

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2046128&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: 1-hydroxy-2-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-2-unsubstituted benzenoids
• Alternative Parents: Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
• 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

Propriedades químicas e físicas

• Ponto de ebulição (°C): 155 °C/12 mmHg (lit.)
• Ponto de fusão (°C): 64-66 °C (lit.)
• Peso molecular: 162.230 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 162.104 Da
• Monoisotopic Mass: 162.104 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 130.000
• 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