3-Methylhexane
ALDRICH/M49801 - 99%
Synonym: (±)-3-Methylhexane; 2-Ethylpentane
CAS Number: 589-34-4
Empirical Formula (Hill Notation): C7H16
Molecular Weight: 100.20
EC Number: 209-643-3
MDL Number: MFCD00009408
Linear Formula: CH3CH2CH2CH(CH3)CH2CH3
Product Type: Chemical
| assay | 99% |
| autoignition temp. | 536 °F |
| bp | 91 °C (lit.) |
| density | 0.687 g/mL at 25 °C (lit.) |
| expl. lim. | ~7 % |
| form | liquid |
| InChI | 1S/C7H16/c1-4-6-7(3)5-2/h |
| InChI key | VLJXXKKOSFGPHI-UHFFFAOYSA |
| mp | −119 °C (lit.) |
| refractive index | n |
| SMILES string | CCCC(C)CC |
| vapor pressure | 2.13 psi ( 37.7 °C) |
| 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. |
| Application: | 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. |
| Packaging: | 5, 25 g in glass bottle |
| Symbol |     GHS02,GHS07,GHS08,GHS09 |
| Signal word | Danger |
| Hazard statements | H225 - H304 - H315 - H336 - H410 |
| Precautionary statements | P210 - P233 - P273 - P301 + P310 - P303 + P361 + P353 - P331 |
| Hazard Codes | F,Xn,N |
| Risk Statements | 11-38-50/53-65-67 |
| Safety Statements | 9-16-29-33-60-61-62 |
| RIDADR | UN1206 - class 3 - PG 2 - Heptanes |
| WGK Germany | WGK 2 |
| Flash Point(F) | 30.2 °F - closed cup |
| Flash Point(C) | -1 °C - closed cup |
| Purity | 99% |
| bp | 91 °C (lit.) |
| mp | −119 °C (lit.) |
| Density | 0.687 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |