3,3′-Thiodipropionic Acid 3,3′-Thiodipropionic Acid
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