4-terc-butil-oxileno - ≥98%(GC) , CAS No.7397-06-0

CAS: 7397-06-0 Cat. No.: T161924 Peso molecular: 162.28 Número EC: 625-953-5 PubChem CID: 81881

GRADE & PURITY ≥98%(GC)

Synonyms

Benzene, 4-(1,1-dimethylethyl)-1,2-dimethyl- | 4-tert-Butyl-o-xylene, 99% | 4-tert-Butyl-1,2-dimethylbenzene; Butylxylene; 98%; 1,2-Dimethyl-4-tert-butylbenzene;4-tert-Butyl-o-xylene | A865989 | SY049883 | 1-tert-Butyl-3,4-dimethylbenzene | 1,2-dimethyl-4

Storage

Room temperature

Shipped In

Normal

Descripción general

el 4-terc-butil-o-xileno (1,2-dimetil-4-terc-butilbenceno, DMTBB) es un dimetilalquilbenceno. Se ha sintetizado haciendo reaccionar o-xileno con alcohol terc-butílico sobre un sistema catalítico basado en zeolita.

Specifications

Sinónimos

Benzene, 4-(1, 1-dimethylethyl)-1, 2-dimethyl- | 4-tert-Butyl-o-xylene, 99% | 4-tert-Butyl-1, 2-dimethylbenzene; Butylxylene; 98%; 1, 2-Dimethyl-4-tert-butylbenzene;4-tert-Butyl-o-xylene | A865989 | SY049883 | 1-tert-Butyl-3, 4-dimethylbenzene | 1, 2-dimethyl-4

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488186017
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186017
• Sonrisas canónicas: CC1=C(C=C(C=C1)C(C)(C)C)C
• IUPAC Name: 4-tert-butyl-1,2-dimethylbenzene
• InChIKey: QRPPSTNABSMSCS-UHFFFAOYSA-N
• INCHI: 1S/C12H18/c1-9-6-7-11(8-10(9)2)12(3,4)5/h6-8H,1-5H3
• Isómeros SMILES: CC1=C(C=C(C=C1)C(C)(C)C)C
• WGK Alemania: 3
• PubChem CID: 81881
• Peso molecular: 162.28
• Reaxy-Rn: 1925371

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: o-Xylenes Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - O-xylene - Xylene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane 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

Propiedades químicas y físicas

• Índice de refracción: 1.5
• Punto de inflamación (°F): 179.6 °F
• Punto de inflamación (°C): 82°C(lit.)
• Punto de ebullición (°C): 211°C(lit.)
• Peso molecular: 162.270 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 162.141 Da
• Monoisotopic Mass: 162.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 141.000
• 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