Ethyl thioacetate
Structural formula
| Business number | 06SA |
|---|---|
| Molecular formula | C4H8OS |
| Molecular weight | 104.17 |
| label |
S-ethyl thioacetate, Ethyl thioacetate, Ethanethioic acid S-ethyl ester, Ethyl thioacetate, CH3COSC2H5 |
Numbering system
CAS number:625-60-5
MDL number:MFCD00015178
EINECS number:210-904-9
RTECS number:None
BRN number:1737643
PubChem number:24901606
Physical property data
1. Characteristics: foul-smelling liquid.
2. Density (g/mL,25/4℃): 0.979
3. Relative vapor density (g/mL,Air=1): Undetermined
4. Melting point (ºC):
5. Boiling point (ºC,Normal pressure): 115-117
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: 1.458
8. Flash Point (ºC): 18
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of water) partition coefficient: Undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Insoluble in water.
Toxicological data
None
Ecological data
Generally not hazardous to water, do not discharge material into the surrounding environment without government permission.
Molecular structure data
1. Moore refraction Rate: 28.60
2. Molar Volume (cm3/mol):105.6
3. Isotonic specific volume (90.2K) ：247.0
4. Surface Tension (dyne/cm）：29.8
5. Polarization Rate（10-24cm3):11.34
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 42.4
7. Number of heavy atoms: 6
8. Surface charge: 0
9. Complexity: 51.5
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Keep away from oxidizing agents
Storage method
Store in an airtight container in a cool, dry place. Store away from oxidizing agents.
Synthesis method
Synthesized from acetyl chloride and ethyl mercaptan.
Purpose
Edible spices.
