CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear colorless liquid; [Sigma-Aldrich MSDS] |
|---|---|
| Boiling Point | 118.00 °C. @ 760.00 mm Hg |
| Melting Point | -100 °C |
| Solubility | 0.000792 mg/mL at 25 °C |
| Vapor Pressure | 19.6 [mmHg] |
| Kovats Retention Index | 774.3 769.27 769.73 764.58 772.1 784.63 768.7 769 770.31 771.67 770.68 770.98 771 771 772.9 773.3 773.7 773.42 773.79 774.07 772 769 773.8 771.7 772 763.5 771.9 776.6 778 776 774 775 774 772 773 774 773.3 773.5 773.9 774.1 772 772 772 773 773 774 774.2 774.3 773 769 773 774 774 762 774 775 774.38 774.76 775.11 775.75 776.18 773 774 774 774 775 775 774 775 771 774 767 774 772 772.2 775 774.2 774.2 773 773 765 772 774.1 773 773 771.4 771 773 773 772 775 772 770 774 773 774 777 777 777 |
| Chemical Classes | Solvents -> Aliphatics, Saturated (<C12) |
SAFETY INFORMATION
| 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
| Molecular Weight | 114.23 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 4 |
| Exact Mass | 114.140850574 g/mol |
| Monoisotopic Mass | 114.140850574 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 39.3 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-Methylheptane is an alkane.