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

CAS: 3221-61-2 Cat. No.: M158524 Summenformel: C₉H₂₀ Molekulargewicht: 128.26 EG-Nummer: 221-748-6

QUALITÄT & REINHEIT ≥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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

504752896

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

CCCCCCC(C)C

WGK Deutschland

3

UN-Nummer

3295

Verpackungsgruppe

III

Molekulargewicht

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
    • Klasse Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Acetone,Benzene,Ether,Alcohol
• Brechungsindex: 1.403
• Flammpunkt (°F): 78.8 °F
• Flammpunkt (°C): 26°C(lit.)
• Siedepunkt (°C): 140-144 °C
• Molekulargewicht: 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