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

CAS: 637-50-3 Cat. No.: M136687 Summenformel: C₉H₁₀ Molekulargewicht: 118.18 Beilstein Registry Number: 5(1)231 EG-Nummer: 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

Synonyme

[(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

Spezifikationen & Reinheit

≥95%(GC), cis- and trans- mixture

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%(GC)

Namen und Kennungen

Pubchem Sid

504758119

Pubchem Sid Url

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

Kanonisches Lächeln

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+

Isomere SMILES

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

RTECS

DA8400000

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

Saccharomyces cerevisiae (19171 Activities)

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Candida albicans (78123 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water
• Empfindlichkeit: light sensitive
• Brechungsindex: 1.55
• Flammpunkt (°F): 60°C(lit.)
• Flammpunkt (°C): 60 °C
• Siedepunkt (°C): 177 °C
• Molekulargewicht: 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