structural formula
| business number | 032w |
|---|---|
| molecular formula | c6h10o4s |
| molecular weight | 178.21 |
| label |
thiodipropionic acid, 3,3’-monothiodipropionic acid, bis(2-carboxyethyl) sulfide, 3,3′-thiodipropionitrile, thiodipropionate, 3,3′-thiodipropionic acid, bis(2-carboxyethyl)sulfide, dimethyl sulfide 2,2-dicarboxylic acid, antioxidants, food additives |
numbering system
cas number:111-17-1
mdl number:mfcd00002781
einecs number:203-841-3
rtecs number:uf7990000
brn number:1210299
pubchem id:none
physical property data
1. characteristics: white powder with a foul odor.
2. density (g/ml,20℃): undetermined
3. relative vapor density (g/ml,air=1): undetermined
4. melting point (ºc):130- 133
5. boiling point (ºc,normal pressure): undetermined
6. boiling point (ºc, kpa): undetermined
7. refractive index: undetermined
8. flashpoint (ºc):128
9. specific optical rotation (º): undetermined
10. autoignition point or ignition temperature (ºc): undetermined
11. vapor pressure (mmhg,25ºc): undetermined
12. saturated vapor pressure (kpa, ºc): undetermined
13. heat of combustion (kj/mol): undetermined
14. critical temperature (ºc): undetermined
15. critical pressure (kpa): undetermined
16. mouse abdominal cavity ld5o：250mg/kg
mouse veinld5o: 175mg/kg
2. irritation: rabbit transdermal standard dereze eye dye test: 500mg/ 24h mild irritation.
rabbit eye standard dreze eye dye test: 20mg/ 24h moderately irritating.
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 40.97
2. molar volume (m3/mol）：130.7
3. isotonic specific volume (90.2k):365.1
4. surface tension (dyne/cm):60.7
5. polarizability（10-24cm3):16.24
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): -0.1
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 6
5. number of tautomers: none
6. topological molecule polar surface area 99.9
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 130
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
none
storage method
none
synthesis method
none
purpose
none
arial”>):365.1
4. surface tension (dyne/cm):60.7
5. polarizability（10-24cm3):16.24
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): -0.1
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 6
5. number of tautomers: none
6. topological molecule polar surface area 99.9
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 130
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
none
storage method
none
synthesis method
none
purpose
none
