Diisobutylene - ≥94%, Mixture of isomers,Contains BHT as stabilizer , CAS No.25167-70-8

CAS: 25167-70-8 Cat. No.: D106367 Peso molecular: 112.21 Beilstein Registry Number: 1098309 Número EC: 246-690-9

GRADE & PURITY ≥94%, Mixture of isomers,Contains BHT as stabilizer

Synonyms

1-Pentene, 2,4,4-trimethyl-; 2,4,4-Trimethyl-1-pentene; 1-Methyl-1-neopentylethylene; 2,2,4-Trimethyl-4-pentene; NSC 73942; NSC 8701 | NCGC00260103-01 | (tert-C4H9)CH2C(CH3)=CH2 | 4-01-00-00892 (Beilstein Handbook Reference) | InChI=1/C8H16/c1-7(2)6-8(3,4

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1-Pentene, 2, 4, 4-trimethyl-; 2, 4, 4-Trimethyl-1-pentene; 1-Methyl-1-neopentylethylene; 2, 2, 4-Trimethyl-4-pentene; NSC 73942; NSC 8701 | NCGC00260103-01 | (tert-C4H9)CH2C(CH3)=CH2 | 4-01-00-00892 (Beilstein Handbook Reference) | InChI=1/C8H16/c1-7(2)6-8(3, 4

Especificaciones y pureza

≥94%, Mixture of isomers, Contains BHT as stabilizer

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥94%

Nombres e identificadores

• Sonrisas canónicas: CC(=C)CC(C)(C)C
• IUPAC Name: 2,4,4-trimethylpent-1-ene
• InChIKey: FXNDIJDIPNCZQJ-UHFFFAOYSA-N
• INCHI: 1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3
• Isómeros SMILES: CC(=C)CC(C)(C)C
• WGK Alemania: 3
• CAS alternativo: 107-39-1
• Número ONU: 2050
• Grupo de embalaje: II
• Peso molecular: 112.21
• Beilstein: 1098309
• Reaxy-Rn: 1098309
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098309&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Clase Unsaturated hydrocarbons
      • Subclass Branched unsaturated hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: Unsaturated hydrocarbons
• Subclass: Branched unsaturated hydrocarbons
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched unsaturated hydrocarbons
• Alternative Parents: Unsaturated aliphatic hydrocarbons Alkenes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched unsaturated hydrocarbon - Unsaturated aliphatic hydrocarbon - Olefin - Alkene - Acyclic olefin - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch.
• 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

• Solubilidad: Insoluble in water
• Índice de refracción: 1.41
• Punto de inflamación (°F): 2℃
• Punto de inflamación (°C): 2℃
• Punto de ebullición (°C): 102°C
• Punto de fusión (°C): -101°C
• Peso molecular: 112.210 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 112.125 Da
• Monoisotopic Mass: 112.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 82.700
• 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

Referencias

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