3-Methylhexane - ≥95%(GC) , CAS No.589-34-4

CAS: 589-34-4 Cat. No.: M158521 Fórmula: C₇H₁₆ Peso molecular: 100.21 Beilstein Registry Number: 1718740 Número CE: 209-643-3

GRADE & PURITY ≥95%(GC)

Synonyms

(S)-(+)-3-methylhexane | AKOS015841881 | DTXSID3044334 | (+/-)-3-METHYLHEXANE | 3-Methylhexane, 99% | 3-Methylhexane; (+/-)-3-Methylhexane; 2-Ethylpentane; NSC 73937 | EINECS 209-643-3 | 1J3ZK6L6VY | Hexane, 3-methyl- | NCGC00260396-01 | NSC73937 | NSC-73

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifications

Sinónimos

(S)-(+)-3-methylhexane | AKOS015841881 | DTXSID3044334 | (+/-)-3-METHYLHEXANE | 3-Methylhexane, 99% | 3-Methylhexane; (+/-)-3-Methylhexane; 2-Ethylpentane; NSC 73937 | EINECS 209-643-3 | 1J3ZK6L6VY | Hexane, 3-methyl- | NCGC00260396-01 | NSC73937 | NSC-73

Especificações e pureza

≥95%(GC)

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice,FedEx DG Service

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%(GC)

Nomes e identificadores

• Pubchem Sid: 504752142
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752142
• Sorrisos canónicos: CCCC(C)CC
• IUPAC Name: 3-methylhexane
• InChIKey: VLJXXKKOSFGPHI-UHFFFAOYSA-N
• INCHI: 1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3
• SMILES isoméricas: CCCC(C)CC
• WGK Alemanha: 2
• Número UN: 1206
• Grupo de embalagem: II
• Peso molecular: 100.21
• Beilstein: 1718740
• Reaxy-Rn: 1718740
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718740&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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Hygroscopic
• Índice de refração: 1.39
• Ponto de inflamação (°F): 30.2 °F
• Ponto de inflamação (°C): -1°C
• Ponto de ebulição (°C): 91 °C
• Ponto de fusão (°C): -119°C
• Peso molecular: 100.200 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 100.125 Da
• Monoisotopic Mass: 100.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 31.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referências

1. Yuan-Yuan Cui, Huan Yao, Cheng-Xiong Yang, Xiu-Ping Yan.  (2019)  In situ fabrication of microporous organic network coated capillary column for high resolution gas chromatographic separation of hydrocarbons.  ELECTROPHORESIS,      [PMID:30942493] [10.1002/elps.201800540]

2. Wenna Liu, Wanglu Jia, Qiang Wang, Jian Chen, Jinbu Li, Ping’an Peng.  (2024)  Influencing factors of hydrogen isotopic fractionation of light hydrocarbons during evaporation and implications.  ORGANIC GEOCHEMISTRY,      [PMID:] [10.1016/j.orggeochem.2024.104894]

3. Chu Zeng, Hong-Tao Jiang, Ming Xu, Zhi-Yuan Gu.  (2026)  Stabilizing an scu-topology Zr-MOF via linker installation for enhanced gas chromatographic separation.  TALANTA,      [PMID:41619326] [10.1016/j.talanta.2026.129469]