2-Methyloctane - ≥98%(GC) , CAS No.3221-61-2

CAS: 3221-61-2 Cat. No.: M158524 Formula: C₉H₂₀ Peso molecolare: 128.26 Numero EC: 221-748-6

QUALITÀ & PUREZZA ≥98%(GC)

Synonyms

J-018678 | AV5KXW7I9L | FT-0634728 | MFCD00027307 | FT-0691810 | M0308 | LS-13718 | Q2813823 | EINECS 271-364-8 | Isononane (8CI,9CI) | 2-Methyloctane; NSC 23695 | UNII-AV5KXW7I9L | NSC 23695 | EINECS 252-053-6 | Octane, 2-methyl- | D91311 | 2-METHYLOCTAN

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

J-018678 | AV5KXW7I9L | FT-0634728 | MFCD00027307 | FT-0691810 | M0308 | LS-13718 | Q2813823 | EINECS 271-364-8 | Isononane (8CI,9CI) | 2-Methyloctane; NSC 23695 | UNII-AV5KXW7I9L | NSC 23695 | EINECS 252-053-6 | Octane, 2-methyl- | D91311 | 2-METHYLOCTAN

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

504752896

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752896

Sorrisi canonici

CCCCCCC(C)C

IUPAC Name

2-methyloctane

InChIKey

ZUBZATZOEPUUQF-UHFFFAOYSA-N

INCHI

1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3

Isomeri SMILES

CCCCCCC(C)C

WGK Germania

3

Numero UN

3295

Gruppo di imballaggio

III

Peso molecolare

128.26

Reaxy-Rn

1696918

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696918&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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Acetone,Benzene,Ether,Alcohol
• Indice di rifrazione: 1.403
• Punto di infiammabilità (°F): 78.8 °F
• Punto di infiammabilità (°C): 26°C(lit.)
• Punto di ebollizione (°C): 140-144 °C
• Peso molecolare: 128.250 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 128.157 Da
• Monoisotopic Mass: 128.157 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 46.000
• 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