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

CAS: 637-50-3 Cat. No.: M136687 Molecular Weight: 118.18 Beilstein Registry Number: 5(1)231 EC Number: 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

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

Specifications & Purity

≥95%(GC), cis- and trans- mixture

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 504758119
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758119
• Canonical Smiles: 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+
• Isomeric SMILES: C/C=C/C1=CC=CC=C1
• RTECS: DA8400000
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(non-human)

Saccharomyces cerevisiae (19171 Activities)

Explore this target

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

Candida albicans (78123 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water
• Sensitivity: light sensitive
• Refractive Index: 1.55
• Flash Point(°F): 60°C(lit.)
• Flash Point(°C): 60 °C
• Boil Point(°C): 177 °C
• Molecular Weight: 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

References

1. Yue Liu, Wansen Tan, Jingjun Hong.  (2025)  Co-Expression and Purification of the Complex of Single-Chain H2B-H2A.Z and Histone Chaperone YL1.  Current Protocols,  5  (5): (e70151).  [PMID:40421937] [10.1002/cpz1.70151]

2. Jinwei Zhai, Wansen Tan, Lei Ji, Jingjun Hong.  (2025)  Fermentation and Purification of Recombinant Human Type III Collagen Expressed in Escherichia coli.  Current Protocols,  5  (12): (e70284).  [PMID:41452303] [10.1002/cpz1.70284]