Isododecane - mixture of isomers,≥80% , CAS No.31807-55-3

CAS: 31807-55-3 Cat. No.: I347910 Fórmula: C₁₂H₂₆ Peso molecular: 170.33 Número CE: 250-816-8

GRADE & PURITY mixture of isomers,≥80%

Synonyms

2-Methylundecane

Storage

Room temperature

Shipped In

Normal

Visão geral

Isododecane is a useful aliphatic medium for polymerization reactions.

Specifications

Sinónimos

2-Methylundecane

Especificações e pureza

mixture of isomers,≥80%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nomes e identificadores

Pubchem Sid

504753128

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753128

Sorrisos canónicos

CCCCCCCCCC(C)C

IUPAC Name

2-methylundecane

InChIKey

GTJOHISYCKPIMT-UHFFFAOYSA-N

INCHI

1S/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3

SMILES isoméricas

CCCCCCCCCC(C)C

WGK Alemanha

1

Número UN

2286

Grupo de embalagem

III

Peso molecular

170.33

Reaxy-Rn

1731755

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731755&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched alkane - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2.
• 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

Propriedades químicas e físicas

• Solubilidade: Immiscible with water.
• Índice de refração: 1.421
• Ponto de inflamação (°F): 108°F
• Ponto de inflamação (°C): 42°C
• Ponto de ebulição (°C): 180° C at 760 mmHg
• Peso molecular: 170.330 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 170.203 Da
• Monoisotopic Mass: 170.203 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 74.100
• 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