4-Isopropenyltoluene (stabilized with TBC) - ≥95%(GC) , CAS No.1195-32-0

CAS: 1195-32-0 Cat. No.: I157628 Molecular Weight: 132.21 Beilstein Registry Number: 5(4)1,383 EC Number: 214-795-9

GRADE & PURITY ≥95%(GC)

Synonyms

1-methyl-4.alpha.-methylstyrene | AKOS012525086 | Para- alpha-dimethylstyrene | 1-Methyl-4-(1-methylethenyl)benzene | 1-Methyl-4-(1-methylethenyl)-benzene | alpha,p-Dimethylstyrene | DIMETHYLSTYRENE, P-.ALPHA.- | NSC 361058 | p-Methyl-.alpha.-methylstyren

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads,FedEx DG Service

Specifications

Synonyms

1-methyl-4.alpha.-methylstyrene | AKOS012525086 | Para- alpha-dimethylstyrene | 1-Methyl-4-(1-methylethenyl)benzene | 1-Methyl-4-(1-methylethenyl)-benzene | alpha, p-Dimethylstyrene | DIMETHYLSTYRENE, P-.ALPHA.- | NSC 361058 | p-Methyl-.alpha.-methylstyren

Specifications & Purity

≥95%(GC)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads, FedEx DG Service

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

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 504753838
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753838
• Canonical Smiles: CC1=CC=C(C=C1)C(=C)C
• IUPAC Name: 1-methyl-4-prop-1-en-2-ylbenzene
• InChIKey: MMSLOZQEMPDGPI-UHFFFAOYSA-N
• INCHI: 1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3
• Isomeric SMILES: CC1=CC=C(C=C1)C(=C)C
• Molecular Weight: 132.21
• Beilstein: 5(4)1,383
• Reaxy-Rn: 1633795
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1633795&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylpropenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylpropenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropenes
• Alternative Parents: Styrenes Toluenes Aromatic hydrocarbons Branched unsaturated hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropene - Styrene - Toluene - Aromatic hydrocarbon - Branched unsaturated hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpropenes. These are compounds containing a phenylpropene moiety, which consists of a propene substituent bound to a phenyl group.
• 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

• Sensitivity: Heat Sensitive
• Refractive Index: 1.53
• Flash Point(°F): 62°C(lit.)
• Flash Point(°C): 62°C(lit.)
• Boil Point(°C): 186°C(lit.)
• Melt Point(°C): -28°C(lit.)
• Molecular Weight: 132.200 g/mol
• XLogP3: 3.700
• 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: 116.000
• 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