3-Methyloctane
- CAS NO.：2216-33-3
- Empirical Formula: C9H20
- Molecular Weight: 128.26
- MDL number: MFCD00042906
- EINECS: 218-686-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-09-12 18:49:05
What is 3-Methyloctane?
The Uses of 3-Methyloctane
3-Methyloctane is a volatile organic compounds in breath as markers of human lung cancer.
Synthesis Reference(s)
The Journal of Organic Chemistry, 49, p. 3928, 1984 DOI: 10.1021/jo00195a009
Purification Methods
Take it through a silica gel column and distil it. [Klassen & Ross J Phys Chem 91 3668 1987, Beilstein 1 IV 455]
Properties of 3-Methyloctane
| Melting point: | -107.6°C |
| Boiling point: | 144 °C |
| Density | 0.72 |
| refractive index | n20/D 1.407 |
| Flash point: | 32 °C |
| solubility | soluble in Ether,Benzene,Acetone |
| form | clear liquid |
| color | Colorless |
| Water Solubility | 0.8mg/L(23 ºC) |
| Dielectric constant | 30.0（21℃） |
| Stability: | Volatile |
| CAS DataBase Reference | 2216-33-3(CAS DataBase Reference) |
| EPA Substance Registry System | Octane, 3-methyl- (2216-33-3) |
Safety information for 3-Methyloctane
| Signal word | Danger |
| Pictogram(s) |
 Flame Flammables GHS02  Health Hazard GHS08 |
| GHS Hazard Statements |
H226:Flammable liquids H304:Aspiration hazard |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P370+P378:In case of fire: Use … for extinction. P405:Store locked up. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
Computed Descriptors for 3-Methyloctane
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