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Ethyl 3-methylthiopropionate Ethyl 3-(methylthio)propanoate Chemcial
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density | 1.0±0.1 g/cm3 |
---|---|
boiling point | 200.5±23.0 °C at 760 mmHg |
molecular formula | C6H12O2S |
molecular weight | 148.223 |
flash point | 81.0±10.6 °C |
Precise quality | 148.055801 |
PSA | 51.60000 |
LogP | 1.57 |
Appearance traits | Colorless to light yellow liquid |
vapour pressure | 0.3±0.4 mmHg at 25°C |
refractive index | 1.459 |
Storage conditions |
Room temperature is sealed, cool, ventilated and dry |
stability |
Stable at room temperature and pressure, avoid material oxides. Light yellow liquid, one of the fragrance components of pineapple. It has a strong aroma of meat, onion and garlic. |
Molecular |
1. Molar refractive index: 39.61 2. Molar volume (cm3/mol):145.0 3. Isotonic specific volume (90.2K): 346.2 Surface tension (dyne/cm): 4.32 5. Polarizability (10-24cm3):15.70 |
Computational Chemistry |
1. Hydrophobic parameters calculation reference value (XlogP): 1.1 2. Number of hydrogen bond donors: 0 3. Number of hydrogen bond receptors: 3 4. Number of rotatable chemical bonds: 5 5. Number of tautomers: None 6. Topological molecular polar surface area 51.6 7. Number of heavy atoms: 9 8. Surface charge: 0 9. Complexity: 83.1 10. Number of isotope atoms: 0 11. Determine the number of atomic stereoscopic centers: 0 12. Uncertain number of atomic stereoscopic centers: 0 13. Determine the number of chemical bond stereotactic centers: 0 14. Uncertain number of chemical bond stereotactic centers: 0 15. Number of covalent bond units: 1 |
more |
1. Properties: light yellow liquid. 2. Density (g/mL, 25°C): 1.030 3. Relative vapor density (g/mL, air = 1): not determined 4. Melting point (ºC): not determined 5. Boiling point (ºC, normal pressure): 197 6. Boiling point (ºC, 15torr): 89 7. Refractive index: 1.4610 8. Flash point (ºC): 79 9. Specific optical rotation (º): not determined 10. Spontaneous ignition point or ignition temperature (ºC): not determined 11. Vapor pressure (20ºC): not determined 12. Saturated vapor pressure (kPa, 60ºC): not determined 13. Heat of combustion (KJ/mol): not determined 14. Critical temperature (ºC): not determined 15. Critical Pressure (KPa): Not determined 16. Logarithmic value of oil-water (octanol/water) partition coefficient: not determined 17. Upper limit of explosion (%, V/V): Not determined 18. Lower explosion limit (%, V/V): not determined 19. Solubility: Not determined |
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