M49801

3-Methylhexane

99%

• Synonym(s): (±)-3-Methylhexane, 2-Ethylpentane
• Linear Formula: CH₃CH₂CH₂CH(CH₃)CH₂CH₃
• CAS Number: 589-34-4
• Molecular Weight: 100.20
• Beilstein/REAXYS Number: 1718739
• EC Number: 209-643-3
• MDL number: MFCD00009408
• UNSPSC Code: 12352100
• PubChem Substance ID: 24896961
• NACRES: NA.22

Properties

• vapor pressure: 2.13 psi ( 37.7 °C)
• assay: 99%
• form: liquid
• autoignition temp.: 536 °F
• expl. lim.: ~7 %
• refractive index: n20/D 1.388 (lit.)
• bp: 91 °C (lit.)
• mp: −119 °C (lit.)
• density: 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
• InChI key: VLJXXKKOSFGPHI-UHFFFAOYSA-N

Description

Application

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.

Safety Information

• pictograms: GHS02,GHS08,GHS07,GHS09
• signalword: Danger
• hcodes: H225,H304,H315,H336,H410
• pcodes: P210 - P233 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Central nervous system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 30.2 °F - closed cup
• flash_point_c: -1 °C - closed cup