GRADE & PURITY ≥99%(GC)

Synonyms

4-Propyl-1-methylbenzene | p-n-Propyl toluene | UNII-37KHA4S4F0 | D92007 | P0749 | FT-0693871 | BS-22715 | EINECS 214-044-5 | NSC 73973 | Q27256684 | InChI=1/C10H14/c1-3-4-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H | NSC-73973 | P-METHYLPROPYLBENZENE | 1-Methyl-4

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

4-Propyl-1-methylbenzene | p-n-Propyl toluene | UNII-37KHA4S4F0 | D92007 | P0749 | FT-0693871 | BS-22715 | EINECS 214-044-5 | NSC 73973 | Q27256684 | InChI=1/C10H14/c1-3-4-10-7-5-9(2)6-8-10/h5-8H, 3-4H2, 1-2H | NSC-73973 | P-METHYLPROPYLBENZENE | 1-Methyl-4

Especificaciones y pureza

≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%(GC)

Nombres e identificadores

• Pubchem Sid: 488181939
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181939
• Sonrisas canónicas: CCCC1=CC=C(C=C1)C
• IUPAC Name: 1-methyl-4-propylbenzene
• InChIKey: JXFVMNFKABWTHD-UHFFFAOYSA-N
• INCHI: 1S/C10H14/c1-3-4-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3
• Isómeros SMILES: CCCC1=CC=C(C=C1)C
• PubChem CID: 14095
• Número ONU: 3295
• Grupo de embalaje: III
• Peso molecular: 134.22
• Beilstein: 5(4)1057
• Reaxy-Rn: 2038362

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: Toluenes Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Toluene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - 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

Propiedades químicas y físicas

• Índice de refracción: 1.49
• Punto de inflamación (°C): 56 °C
• Punto de ebullición (°C): 183°C(lit.)
• Peso molecular: 134.220 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 134.11 Da
• Monoisotopic Mass: 134.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 78.000
• 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

Referencias

1. Chengming Wu, Quan Wang, Jifan Li, Chun-Ling Liu, Wen-Sheng Dong.  (2023)  Insight into the enhanced catalytic performance of phosphate-modified ZrO2/SBA-15 for the conversion of biobased 2,5-dimethylfuran and ethylene into p-xylene.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.148031]