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| CAS No.: | 111-17-1 |
|---|---|
| Name: | 3,3'-Thiodipropionic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C6H10O4S |
| Molecular Weight: | 178.209 |
| Synonyms: | Propionicacid, 3,3'-thiodi- (6CI,8CI);3,3'-Thiobis(propanoic acid);3,3'-Thiodipropanoic acid;4-Thiaheptanedioic acid;Bis(2-carboxyethyl) sulfide;Diethyl sulfide 2,2'-dicarboxylic acid;NSC 65523;NSC 8166;TDPA;Thiodihydracrylic acid;Thiodipropionic acid;Tyox A;b,b'-Thiodipropionic acid; |
| EINECS: | 203-841-3 |
| Density: | 1.362 g/cm3 |
| Melting Point: | 131-134 °C(lit.) |
| Boiling Point: | 409.3 °C at 760 mmHg |
| Flash Point: | 201.3 °C |
| Solubility: | 40 g/L (25 °C) in water |
| Appearance: | White fine crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38-36 |
| Safety: | 26-36-37/39 |
| PSA: | 99.90000 |
| LogP: | 0.66900 |
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| Conditions | Yield |
|---|---|
| Stage #1: acrylic acid With sodium hydroxide In water at 45 - 50℃; for 0.5h; Stage #2: With hydrogen sulfide In water at 45 - 100℃; Concentration; Time; | A n/a B 94.4% |
| Stage #1: acrylic acid With sodium hydroxide In water at 45 - 50℃; for 0.5h; Stage #2: With hydrogen sulfide In water at 45 - 100℃; for 9.46h; Stage #3: With sulfuric acid; iron In water for 2.5h; Concentration; Reagent/catalyst; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| With silica bromide In dichloromethane at 20℃; for 0.166667h; Inert atmosphere; | 94% |
| Conditions | Yield |
|---|---|
| With water for 48h; Rhodococcus rhodochrous AJ270; | 60% |
| With potassium phosphate buffer; Rhodococcus sp. AJ270 at 30℃; for 48h; | 60% |
| With hydrogenchloride |
- 57-57-8
β-Propiolactone
- 5466-06-8
3-mercaptopropionic acid ethyl ester
- 111-17-1
4-thiaheptane-1,7-dioic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide at 10℃; folgende Verseifung in der Siedehitze; |
| Conditions | Yield |
|---|---|
| With sodium sulfide; water at 200℃; |
| Conditions | Yield |
|---|---|
| With sodium sulfide; water |
| Conditions | Yield |
|---|---|
| With potassium hydrosulfide | |
| With alkali hydrosulfide |
- 3680-08-8
3,3'-sulfinyldipropionic acid
- 68-11-1
mercaptoacetic acid
A
- 111-17-1
4-thiaheptane-1,7-dioic acid
B
- 505-73-7
disulfanediyldiacetic acid
| Conditions | Yield |
|---|---|
| at 60℃; Rate constant; |
| Conditions | Yield |
|---|---|
| With potassium hydroxide; hydrogen sulfide at 15 - 25℃; folgende Verseifung mit verduennter Natronlauge bei 65grad; |
- 292638-85-8
acrylic acid methyl ester
- 107-96-0
3-mercaptopropionic acid
- 111-17-1
4-thiaheptane-1,7-dioic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
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Chemistry
Molecular Structure of BIS(2-CARBOXYETHYL) SULFIDE(111-17-1):
IUPAC Name:3-(2-carboxyethylsulfanyl)propanoic acid
Molecular Formula:C6H10O4S
Molecular Weight:178.206200 g/mol
Appearance:white crystalline powder
Melting Point:131-134 °C(lit.)
Density:1.362 g/cm3
Flash Point:201.3 °C
Enthalpy of Vaporization:72.57 kJ/mol
Boiling Point:409.3 °C at 760 mmHg
Vapour Pressure:7.61E-08 mmHg at 25 °C
Water Solubility:1.974e+005 mg/L at 25 °C
BRN:1210299
EINECS:203-841-3
Synonyms of BIS(2-CARBOXYETHYL) SULFIDE(111-17-1):
3,3'-THIODIPROPIONIC ACID;3,3-THIODIPROPIONIC ACID;3,3'-THIODIPROPIONIC ACID, POLYMER-BOUND;DIETHYL SULFIDE 2,2'-DICARBOXYLIC ACID;BIS(2-CARBOXYETHYL) SULFIDE;BETA,BETA'-THIODIPROPIONIC ACID;RARECHEM AL BO 0314;3,3'-Thiodipropionic acid
Categories of BIS(2-CARBOXYETHYL) SULFIDE(111-17-1):
Others;Supported Reagents;Supported Synthesis
Uses
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MLD | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,171. | ||
| 2. | eye-rbt 20 mg/24H MOD | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,171. | ||
| 3. | orl-rat LD50:3980 mg/kg | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,171. | ||
| 4. | ipr-rat LD50:500 mg/kg | AFREAW Advances in Food Research. 3 (1951),197. | ||
| 5. | orl-mus LD50:2000 mg/kg | AFREAW Advances in Food Research. 3 (1951),197. | ||
| 6. | ipr-mus LD50:250 mg/kg | AFREAW Advances in Food Research. 3 (1951),197. | ||
| 7. | ivn-mus LD50:175 mg/kg | AFREAW Advances in Food Research. 3 (1951),197. |
Consensus Reports
Safety Profile
Hazard Codes:Xi
Risk Statements:36/37/38-36
36/37/38:Irritating to eyes, respiratory system and skin
36:Irritating to the eyes
Safety Statements:26-36-37/39
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
37/39:Wear suitable gloves and eye/face protection
WGK Germany:2
RTECS:UF7990000
HS Code:29309070
A poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion. A skin and eye irritant. When heated to decomposition it emits toxic fumes of SOx. See also SULFIDES.
Specification
Store in a cool, dry place. Store in a tightly closed container.