2-Propylphenol - ≥98%(GC) , CAS No.644-35-9

CAS: 644-35-9 Cat. No.: P160564 Peso molecular: 136.19 Beilstein Registry Number: 6499 Número EC: 211-415-3 PubChem CID: 12570

GRADE & PURITY ≥98%(GC)

Synonyms

Q27256223 | o-Propylphenol | o-propyl-phenol | 1-Hydroxy-2-propylbenzene | 2-Propylphenol, >=97%, FG | NSC-65646 | TS-01757 | NCGC00256723-01 | UNII-333R6F6T3N | 1-Hydroxy-2-n-propylbenzene | NCIOpen2_000115 | NSC 65646 | 4i7m | GLXC-26030 | O-PROPYLPHENO

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Descripción general

Application

2-Propylphenol can be used as:

A ligand to prepare iridium complex for the study of equilibria between iridium hydride alkylidene structures and their corresponding hydride olefin isomers.

A model compound in the study of Pt/C-catalyzed H-D exchange reactions of aromatic compounds using D2O.

Specifications

Sinónimos

Q27256223 | o-Propylphenol | o-propyl-phenol | 1-Hydroxy-2-propylbenzene | 2-Propylphenol, >=97%, FG | NSC-65646 | TS-01757 | NCGC00256723-01 | UNII-333R6F6T3N | 1-Hydroxy-2-n-propylbenzene | NCIOpen2_000115 | NSC 65646 | 4i7m | GLXC-26030 | O-PROPYLPHENO

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Protected from light, Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488181701
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181701
• Sonrisas canónicas: CCCC1=CC=CC=C1O
• IUPAC Name: 2-propylphenol
• InChIKey: LCHYEKKJCUJAKN-UHFFFAOYSA-N
• INCHI: 1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3
• Isómeros SMILES: CCCC1=CC=CC=C1O
• WGK Alemania: 3
• RTECS: SM8600000
• PubChem CID: 12570
• Peso molecular: 136.19
• Beilstein: 6499
• Reaxy-Rn: 1363932

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: light & air sensitive
• Índice de refracción: 1.527
• Punto de inflamación (°F): 199.4 °F
• Punto de inflamación (°C): 93°C(lit.)
• Punto de ebullición (°C): 214°C
• Peso molecular: 136.190 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 136.089 Da
• Monoisotopic Mass: 136.089 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 90.700
• 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