3-Ethyl-2-methylpentane - ≥99%(GC) , CAS No.609-26-7

CAS: 609-26-7 Cat. No.: E156245 Fórmula: C₈H₁₈ Peso molecular: 114.23 Beilstein Registry Number: 1(4)437 Número CE: 210-187-2

GRAU & PUREZA ≥99%(GC)

Synonyms

Q2816008 | EINECS 210-187-2 | 2-METHYL-3-ETHYLPENTANE | DUPUVYJQZSLSJB-UHFFFAOYSA- | DUPUVYJQZSLSJB-UHFFFAOYSA-N | NSC 73955 | DTXSID40880424 | T72698 | LMFA11000627 | NSC73955 | NSC-73955 | 3-Ethyl-2-methylpentan | 3-Ethyl-2-methylpentane | 3-ethyl-2-met

Storage

Room temperature

Shipped In

FedEx DG Service

Especificações

Sinónimos

Q2816008 | EINECS 210-187-2 | 2-METHYL-3-ETHYLPENTANE | DUPUVYJQZSLSJB-UHFFFAOYSA- | DUPUVYJQZSLSJB-UHFFFAOYSA-N | NSC 73955 | DTXSID40880424 | T72698 | LMFA11000627 | NSC73955 | NSC-73955 | 3-Ethyl-2-methylpentan | 3-Ethyl-2-methylpentane | 3-ethyl-2-met

Especificações e pureza

≥99%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Pureza

≥99%(GC)

Nomes e identificadores

Pubchem Sid

528758342

Sorrisos canónicos

CCC(CC)C(C)C

IUPAC Name

3-ethyl-2-methylpentane

InChIKey

DUPUVYJQZSLSJB-UHFFFAOYSA-N

INCHI

1S/C8H18/c1-5-8(6-2)7(3)4/h7-8H,5-6H2,1-4H3

SMILES isoméricas

CCC(CC)C(C)C

Peso molecular

114.23

Beilstein

1(4)437

Reaxy-Rn

1696870

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696870&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: Hydrocarbons

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

• Ponto de inflamação (°C): 3°C(lit.)
• Ponto de ebulição (°C): 116°C
• Peso molecular: 114.230 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 114.141 Da
• Monoisotopic Mass: 114.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 42.000
• 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