2-Ethyltoluene
Synonym(s):2-Ethyltoluene
- CAS NO.：611-14-3
- Empirical Formula: C9H12
- Molecular Weight: 120.19
- MDL number: MFCD00009257
- EINECS: 210-255-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:15:30
What is 2-Ethyltoluene?
Chemical properties
clear colorless to slightly yellow liquid
The Uses of 2-Ethyltoluene
2-Ethyltoluene, is used to predict novel lead compounds for drug discovery that depends on the quality of the docking scoring function.
Definition
ChEBI: 2-Ethyltoluene is a member of the class of toluenes carrying an ethyl group at the ortho-position.
Properties of 2-Ethyltoluene
| Melting point: | −17 °C(lit.) |
| Boiling point: | 164-165 °C(lit.) |
| Density | 0.887 g/mL at 25 °C(lit.) |
| vapor pressure | 2.8 hPa (20 °C) |
| refractive index | n |
| Flash point: | 103 °F |
| storage temp. | Store below +30°C. |
| solubility | 74.6mg/l (experimental) |
| form | clear liquid |
| color | Colorless |
| Odor Threshold | 0.074ppm |
| Water Solubility | Soluble in water (74.6 mg/L (25°C)). |
| BRN | 1851237 |
| Dielectric constant | 2.2（24℃） |
| CAS DataBase Reference | 611-14-3(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 1-ethyl-2-methyl-(611-14-3) |
| EPA Substance Registry System | o-Ethyltoluene (611-14-3) |
Safety information for 2-Ethyltoluene
| 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. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P331:Do NOT induce vomiting. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
Computed Descriptors for 2-Ethyltoluene
| InChIKey | HYFLWBNQFMXCPA-UHFFFAOYSA-N |
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