trans-β-Methylstyrene - ≥97%(GC), stabilized with 20 ppm TBC , CAS No.873-66-5

CAS: 873-66-5 Cat. No.: T134052 Fórmula: C₉H₁₀ Peso molecular: 118.18 Beilstein Registry Number: 5(4)1359 Número CE: 212-848-0

GRADE & PURITY ≥97%(GC), stabilized with 20 ppm TBC

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

Shipped In

Wet ice

Visão geral

The product exhibits potential exothermic hazards at higher temperatures.
Trans-β-methylstyrene was used in the epoxidation reaction of an oxidant solution with a solution of dichloromethane, where nickel is used as a catalyst and benzyltributylammonium bromide as a phase-transfer agent.Trans-β-methylstyrene was used in the preparation of exo-chromans by the oxa analogue of the Povarov reaction.

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

Especificações e pureza

≥97%(GC), stabilized with 20 ppm TBC

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%(GC)

Nomes e identificadores

Pubchem Sid

508812820

Sorrisos canónicos

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+

SMILES isoméricas

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

WGK Alemanha

2

RTECS

DA8400500

Peso molecular

118.18

Beilstein

5(4)1359

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
    • Classe Benzene and substituted derivatives
      • Subclass Styrenes

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

Alvos associados (não 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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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Insoluble in water; Degree of Solubility in water: 0.1 g/l 25 °C
• Sensibilidade: heat sensitive
• Índice de refração: 1.55
• Ponto de inflamação (°F): 125.6 °F
• Ponto de inflamação (°C): 52 °C
• Ponto de ebulição (°C): 175 °C
• Ponto de fusão (°C): -29°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