CHEMICAL AND PHYSICAL PROPERTIES
| Boiling Point | 133.00 °C. @ 760.00 mm Hg |
|---|---|
| Solubility | 0.292 mg/mL at 25 °C |
| LogP | 2.87 |
| Kovats Retention Index | 846 847 861 844 844 837 861 850 861.3 847 830 845 846 845 846 851 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
COMPUTED DESCRIPTORS
| Molecular Weight | 112.19 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 112.03467143 g/mol |
| Monoisotopic Mass | 112.03467143 g/mol |
| Topological Polar Surface Area | 28.2 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 52.1 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-Ethylthiophene is a natural product found in Psidium guajava with data available.