2,4,6-Trimethylstyrene (stabilized with TBC) - ≥95% , CAS No.769-25-5

CAS: 769-25-5 Cat. No.: T161978 Molecular Weight: 146.23 Beilstein Registry Number: 5(4)1408 EC Number: 212-205-4 PubChem CID: 13036

GRADE & PURITY ≥95%

Synonyms

MFCD00008613 | 2-Vinylmesitylene | BS-22801 | FT-0609913 | Q27270039 | Vinylmesitylene | Benzene, 2-ethenyl-1,3,5-trimethyl- | 1,3,5-Trimethyl-2-vinyl-benzene | 2,4,6-Trimethylstyrene, 95%, contains <0.05% tert-butylcatechol as inhibitor | Styrene,4,6-tri

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

MFCD00008613 | 2-Vinylmesitylene | BS-22801 | FT-0609913 | Q27270039 | Vinylmesitylene | Benzene, 2-ethenyl-1, 3, 5-trimethyl- | 1, 3, 5-Trimethyl-2-vinyl-benzene | 2, 4, 6-Trimethylstyrene, 95%, contains <0.05% tert-butylcatechol as inhibitor | Styrene, 4, 6-tri

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504752418
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752418
• Canonical Smiles: CC1=CC(=C(C(=C1)C)C=C)C
• IUPAC Name: 2-ethenyl-1,3,5-trimethylbenzene
• InChIKey: PDELBHCVXBSVPJ-UHFFFAOYSA-N
• INCHI: 1S/C11H14/c1-5-11-9(3)6-8(2)7-10(11)4/h5-7H,1H2,2-4H3
• Isomeric SMILES: CC1=CC(=C(C(=C1)C)C=C)C
• PubChem CID: 13036
• Molecular Weight: 146.23
• Beilstein: 5(4)1408
• Reaxy-Rn: 1904365

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

Chemical and Physical Properties

• Solubility: Soluble in methanol.
• Sensitivity: Light sensitive ；Heat sensitive
• Refractive Index: 1.53
• Flash Point(°F): 75°C(lit.)
• Flash Point(°C): 75 °C
• Boil Point(°C): 206 °C
• Molecular Weight: 146.230 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 146.11 Da
• Monoisotopic Mass: 146.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 125.000
• 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