4-Isopropenyltoluene (stabilized with TBC) - ≥95%(GC) , CAS No.1195-32-0

CAS: 1195-32-0 Cat. No.: I157628 Peso molecular: 132.21 Beilstein Registry Number: 5(4)1,383 Número EC: 214-795-9

GRADE & PURITY ≥95%(GC)

Synonyms

1-methyl-4.alpha.-methylstyrene | AKOS012525086 | Para- alpha-dimethylstyrene | 1-Methyl-4-(1-methylethenyl)benzene | 1-Methyl-4-(1-methylethenyl)-benzene | alpha,p-Dimethylstyrene | DIMETHYLSTYRENE, P-.ALPHA.- | NSC 361058 | p-Methyl-.alpha.-methylstyren

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads,FedEx DG Service

Specifications

Sinónimos

1-methyl-4.alpha.-methylstyrene | AKOS012525086 | Para- alpha-dimethylstyrene | 1-Methyl-4-(1-methylethenyl)benzene | 1-Methyl-4-(1-methylethenyl)-benzene | alpha, p-Dimethylstyrene | DIMETHYLSTYRENE, P-.ALPHA.- | NSC 361058 | p-Methyl-.alpha.-methylstyren

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads, FedEx DG Service

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

Pureza

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 504753838
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753838
• Sonrisas canónicas: CC1=CC=C(C=C1)C(=C)C
• IUPAC Name: 1-methyl-4-prop-1-en-2-ylbenzene
• InChIKey: MMSLOZQEMPDGPI-UHFFFAOYSA-N
• INCHI: 1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3
• Isómeros SMILES: CC1=CC=C(C=C1)C(=C)C
• Peso molecular: 132.21
• Beilstein: 5(4)1,383
• Reaxy-Rn: 1633795
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1633795&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylpropenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropenes
• Alternative Parents: Styrenes Toluenes Aromatic hydrocarbons Branched unsaturated hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropene - Styrene - Toluene - Aromatic hydrocarbon - Branched unsaturated hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpropenes. These are compounds containing a phenylpropene moiety, which consists of a propene substituent bound to a phenyl group.
• 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

• Sensibilidad: Heat Sensitive
• Índice de refracción: 1.53
• Punto de inflamación (°F): 62°C(lit.)
• Punto de inflamación (°C): 62°C(lit.)
• Punto de ebullición (°C): 186°C(lit.)
• Punto de fusión (°C): -28°C(lit.)
• Peso molecular: 132.200 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 132.094 Da
• Monoisotopic Mass: 132.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 116.000
• 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