2,5-Dimethylstyrene - ≥98%, contains 500 ppm tert-Butylcatechol as stabilizer , CAS No.2039-89-6

CAS: 2039-89-6 Cat. No.: D168401 Molecular Weight: 132.2 EC Number: 218-028-9

GRADE & PURITY ≥98%, contains 500 ppm tert-Butylcatechol as stabilizer

Synonyms

2,5-DIMETHYLSTYRENE|2039-89-6|1,4-Dimethyl-2-vinylbenzene|Benzene, 2-ethenyl-1,4-dimethyl-|Styrene, 2,5-dimethyl-|2-ethenyl-1,4-dimethylbenzene|1,4-Dimethyl-2-ethenylbenzene|RTM6P5K8CA|MFCD00008614|NSC-73477|EINECS 218-028-9|UNII-RTM6P5K8CA|NSC 73477|BRN

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2, 5-DIMETHYLSTYRENE | 2039-89-6 | 1, 4-Dimethyl-2-vinylbenzene | Benzene, 2-ethenyl-1, 4-dimethyl- | Styrene, 2, 5-dimethyl- | 2-ethenyl-1, 4-dimethylbenzene | 1, 4-Dimethyl-2-ethenylbenzene | RTM6P5K8CA | MFCD00008614 | NSC-73477 | EINECS 218-028-9 | UNII-RTM6P5K8CA | NSC 73477 | BRN

Specifications & Purity

≥98%, contains 500 ppm tert-Butylcatechol as stabilizer

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504752741
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752741
• Canonical Smiles: CC1=CC(=C(C=C1)C)C=C
• IUPAC Name: 2-ethenyl-1,4-dimethylbenzene
• InChIKey: DBWWINQJTZYDFK-UHFFFAOYSA-N
• INCHI: 1S/C10H12/c1-4-10-7-8(2)5-6-9(10)3/h4-7H,1H2,2-3H3
• Isomeric SMILES: CC1=CC(=C(C=C1)C)C=C
• Molecular Weight: 132.2
• Reaxy-Rn: 2203656
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2203656&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: p-Xylenes Aromatic hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-xylene - Xylene - 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

Chemical and Physical Properties

• Flash Point(°C): 63°C
• Boil Point(°C): 71-72°C/10mmHg
• Melt Point(°C): -35 °C
• Molecular Weight: 132.200 g/mol
• XLogP3: 3.400
• 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: 115.000
• 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

References

1. Xingcong Zhang, Hao Zhang, Guanghui Guo, Qingdi Sun, Xiaohui He, Hongbing Ji.  (2023)  Phosphorus-Doped Carbon-Supported Rh Nanoparticles for the Hydroformylation of Styrene with High Regioselectivity.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.2c04328]