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

CAS: 3221-61-2 Cat. No.: M158524 분자식: C₉H₂₀ 분자량: 128.26 EC 번호: 221-748-6

GRADE & PURITY ≥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

Specifications

동의어

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

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

• Pubchem Sid: 504752896
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752896
• 정식 스마일: 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
• 이성체 SMILES: CCCCCCC(C)C
• WGK 독일: 3
• UN 번호: 3295
• 포장 그룹: III
• 분자량: 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
    • 분류 Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in Acetone,Benzene,Ether,Alcohol
• 굴절률: 1.403
• 발화점(°F): 78.8 °F
• 발화점(°C): 26°C(lit.)
• 끓는점(°C): 140-144 °C
• 분자량: 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