3-METHYLHEPTANE
- CAS NO.：589-81-1
- Empirical Formula: C8H18
- Molecular Weight: 114.23
- MDL number: MFCD00027244
- EINECS: 209-660-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:07:02
What is 3-METHYLHEPTANE?
Chemical properties
Colorless liquid.
Physical properties
Colorless, flammable liquid with an odor resembling hexane. An odor threshold concentration of 1.5 ppmv was reported by Nagata and Takeuchi (1990).
The Uses of 3-METHYLHEPTANE
Calibration, organic synthesis.
Definition
ChEBI: 3-Methylheptane is an alkane.
Hazard
Flammable, dangerous fire risk.
Environmental Fate
Photolytic. Based on a photooxidation rate constant of 8.90 x 10-12 cm3/molecule?sec for the
reaction of 3-methylheptane and OH radicals, the estimated lifetime is 16 h during summer
sunlight (Altshuller, 1991).
Chemical/Physical. Complete combustion in air produces carbon dioxide and water vapor. 3-
Methylheptane will not hydrolyze because it does not contain a hydrolyzable functional group.
Solubility in organics
In methanol, g/L: 154 at 5 °C, 170 at 10 °C, 190 at 15 °C, 212 at 20 °C, 242 at 25 °C, 274 at 30 °C, 314 at 35 °C, 365 at 40 °C (Kiser et al., 1961); miscible in many liquid hydrocarbons, particularly saturated hydrocarbons.
Properties of 3-METHYLHEPTANE
| Melting point: | -121--120°C |
| Boiling point: | 118 °C(lit.) |
| Density | 0.705 g/mL at 25 °C(lit.) |
| vapor pressure | 0.73 psi ( 37.7 °C) |
| refractive index | n |
| Flash point: | 45 °F |
| form | clear liquid |
| color | Colorless to Almost colorless |
| Odor Threshold | 0.027ppm |
| Water Solubility | 792 μg/kg at 25 °C (shake flask-GLC, Price, 1976) |
| BRN | 1730777 |
| Henry's Law Constant | 3.70 atm?m3/molat 25 °C (approximate - calculated from water solubility and vapor pressure) |
| Exposure limits | ACGIH: TWA 300 ppm |
| CAS DataBase Reference | 589-81-1(CAS DataBase Reference) |
| EPA Substance Registry System | 3-Methylheptane (589-81-1) |
Safety information for 3-METHYLHEPTANE
| Signal word | Danger |
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H225:Flammable liquids H304:Aspiration hazard H315:Skin corrosion/irritation H336:Specific target organ toxicity,single exposure; Narcotic effects H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P273:Avoid release to the environment. P331:Do NOT induce vomiting. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
Computed Descriptors for 3-METHYLHEPTANE
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