β-Methylstyrene - ≥95%(GC), cis- and trans- mixture , CAS No.637-50-3

CAS: 637-50-3 Cat. No.: M136687 Fórmula: C₉H₁₀ Peso molecular: 118.18 Beilstein Registry Number: 5(1)231 Número EC: 211-287-9

GRADE & PURITY ≥95%(GC), cis- and trans- mixture

Synonyms

[(E)-prop-1-enyl]benzene | [(E)-prop-1-enyl]-benzene | doi:10.14272/QROGIFZRVHSFLM-QHHAFSJGSA-N.1 | Propenylbenzene | trans-phenylpropene | A844730 | M1175 | SY034143 | (1E)-prop-1-en-1-ylbenzene | .beta.-Methylstyrene | beta-Methylstyrene | NSC 65591 | t

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

[(E)-prop-1-enyl]benzene | [(E)-prop-1-enyl]-benzene | doi:10.14272/QROGIFZRVHSFLM-QHHAFSJGSA-N.1 | Propenylbenzene | trans-phenylpropene | A844730 | M1175 | SY034143 | (1E)-prop-1-en-1-ylbenzene | .beta.-Methylstyrene | beta-Methylstyrene | NSC 65591 | t

Especificaciones y pureza

≥95%(GC), cis- and trans- mixture

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

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

504758119

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758119

Sonrisas canónicas

CC=CC1=CC=CC=C1

IUPAC Name

[(E)-prop-1-enyl]benzene

InChIKey

QROGIFZRVHSFLM-QHHAFSJGSA-N

INCHI

1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2+

Isómeros SMILES

C/C=C/C1=CC=CC=C1

RTECS

DA8400000

Peso molecular

118.18

Beilstein

5(1)231

Reaxy-Rn

1679279

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1679279&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Aromatic hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Aromatic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene 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

Objetivos asociados (no humanos)

Saccharomyces cerevisiae (19171 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Candida albicans (78123 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water
• Sensibilidad: light sensitive
• Índice de refracción: 1.55
• Punto de inflamación (°F): 60°C(lit.)
• Punto de inflamación (°C): 60 °C
• Punto de ebullición (°C): 177 °C
• Peso molecular: 118.180 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 118.078 Da
• Monoisotopic Mass: 118.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 86.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1