M49801

3-Methylhexan

99%

• Synonym(e): (±)-3-Methylhexane, 2-Ethylpentane
• Lineare Formel: CH₃CH₂CH₂CH(CH₃)CH₂CH₃
• CAS-Nummer: 589-34-4
• Molekulargewicht: 100.20
• Beilstein: 1718739
• EG-Nummer: 209-643-3
• MDL-Nummer: MFCD00009408
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24896961
• NACRES: NA.22

Eigenschaften

• Dampfdruck: 2.13 psi ( 37.7 °C)
• Assay: 99%
• Form: liquid
• Selbstzündungstemp.: 536 °F
• Expl.-Gr.: ~7 %
• Brechungsindex: n20/D 1.388 (lit.)
• bp: 91 °C (lit.)
• mp (Schmelzpunkt): −119 °C (lit.)
• Dichte: 0.687 g/mL at 25 °C (lit.)
• SMILES String: CCCC(C)CC
• InChI: 1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3
• InChIKey: VLJXXKKOSFGPHI-UHFFFAOYSA-N

Beschreibung

Anwendung

3-Methylhexane can be used as a model alkane to study:

• Cu-catalyzed hydrocarboxylation of simple alkanes to corresponding branched monocarboxylic acids in aqueous medium at low-temperature.
• Au-catalyzed oxygenation of alkanes with H₂O₂ in acetonitrile.
• FeCI₃ catalyzed photooxygenation of simple alkanes to corresponding alcohols in presence of atmospheric O₂.

3-Methylhexane is one of the isomer of heptane. It can be used as a reactant in the synthesis of dimethyl isomers (dimethyl pentanes) using Pt/WZA catalyst.

Sicherheitshinweise

• Piktogramme: GHS02,GHS08,GHS07,GHS09
• Signalwort: Danger
• H-Sätze: H225,H304,H315,H336,H410
• P-Sätze: P210 - P233 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• Gefahreneinstufungen: Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• Zielorgane: Central nervous system
• Lagerklassenschlüssel: 3 - Flammable liquids
• WGK: WGK 2
• Flammpunkt (°F): 30.2 °F - closed cup
• Flammpunkt (°C): -1 °C - closed cup