3-Propyltoluene - ≥99%(GC) , CAS No.1074-43-7

CAS: 1074-43-7 Cat. No.: P160391 Peso molecular: 134.22 Beilstein Registry Number: 5(4)1056 Número EC: 214-040-3 PubChem CID: 14092

GRADE & PURITY ≥99%(GC)

Synonyms

1-Methyl-3-n-propylbenzene | EINECS 214-040-3 | 1-METHYL-3-PROPYLBENZENE | 1-methyl-3-propyl-benzene | AKOS016846127 | 1-Methyl-3-n-propyl benzene | I0ZJ4I1KOV | FT-0723288 | 3-n-Propyltoluene | D92006 | m-Propyltoluene | Toluene, m-propyl- | LS-13805 | M

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifications

Sinónimos

1-Methyl-3-n-propylbenzene | EINECS 214-040-3 | 1-METHYL-3-PROPYLBENZENE | 1-methyl-3-propyl-benzene | AKOS016846127 | 1-Methyl-3-n-propyl benzene | I0ZJ4I1KOV | FT-0723288 | 3-n-Propyltoluene | D92006 | m-Propyltoluene | Toluene, m-propyl- | LS-13805 | M

Especificaciones y pureza

≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice, 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: 504752523
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752523
• Sonrisas canónicas: CCCC1=CC=CC(=C1)C
• IUPAC Name: 1-methyl-3-propylbenzene
• InChIKey: QUEBYVKXYIKVSO-UHFFFAOYSA-N
• INCHI: 1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3
• Isómeros SMILES: CCCC1=CC=CC(=C1)C
• PubChem CID: 14092
• Número ONU: 3295
• Grupo de embalaje: III
• Peso molecular: 134.22
• Beilstein: 5(4)1056
• Reaxy-Rn: 1923702

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: 1.4910-1.4940
• Punto de inflamación (°C): 56 °C
• Punto de ebullición (°C): 181°C
• 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: 86.000
• 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