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

CAS: 589-34-4 Cat. No.: M158521 Summenformel: C₇H₁₆ Molekulargewicht: 100.21 Beilstein Registry Number: 1718740 EG-Nummer: 209-643-3

QUALITÄT & REINHEIT ≥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

Spezifikationen

Synonyme

(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

Spezifikationen & Reinheit

≥95%(GC)

Storage

Store at 2-8°C

Verschickt in

Wet ice,FedEx DG Service

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%(GC)

Namen und Kennungen

Pubchem Sid

504752142

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752142

Kanonisches Lächeln

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

Isomere SMILES

CCCC(C)CC

WGK Deutschland

2

UN-Nummer

1206

Verpackungsgruppe

II

Molekulargewicht

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
    • 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Hygroscopic
• Brechungsindex: 1.39
• Flammpunkt (°F): 30.2 °F
• Flammpunkt (°C): -1°C
• Siedepunkt (°C): 91 °C
• Schmelzpunkt (°C): -119°C
• Molekulargewicht: 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