4-Propyltoluene - ≥99%(GC) , CAS No.1074-55-1

CAS: 1074-55-1 Cat. No.: P160392 Formule: C₁₀H₁₄ Poids moléculaire: 134.22 Beilstein Registry Number: 5(4)1057 Numéro CE: 214-044-5 PubChem CID: 14095

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

Synonymes

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

Spécifications et pureté

≥99%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Pureté

≥99%(GC)

Noms et identifiants

• Pubchem Sid: 488181939
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181939
• Sourires canoniques: 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
• Isomères SMILES: CCCC1=CC=C(C=C1)C
• PubChem CID: 14095
• Numéro ONU: 3295
• Groupe d'emballage: III
• Poids moléculaire: 134.22
• Beilstein: 5(4)1057
• Reaxy-Rn: 2038362

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.49
• Point d'éclair (°C): 56 °C
• Point d'ébullition (°C): 183°C(lit.)
• Poids moléculaire: 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

Références

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]

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by gas chromatography (GC). 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 is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 1074-55-1, the molecular formula is C10H14, and the molecular weight is 134.22 g/mol. InChIKey JXFVMNFKABWTHD-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.