3,3'-thiodi(propionic acid)
3,3'-thiodi(propionic acid)
CAS: 111-17-1
Molecular Formula: C6H10O4S
3,3'-thiodi(propionic acid) - Names and Identifiers
| Name | 3,3'-thiodi(propionic acid) |
| Synonyms | LABOTEST-BB LT00254336 3,3-THIODIPROPIONIC ACID 3,3'-Thiodipropionic acid 3,3'-THIODIPROPIONIC ACID 3,5'-Thiodipropionic acid 3,3'-thiodi(propionic acid) BIS(2-CARBOXYETHYL) SULFIDE 3,3'-sulfanediyldipropanoate 3,3'-sulfanediyldipropanoic acid DIETHYL SULFIDE 2,2'-DICARBOXYLIC ACID 3,3'-THIODIPROPIONIC ACID, POLYMER-BOUND |
| CAS | 111-17-1 |
| EINECS | 203-841-3 |
| InChI | InChI=1/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)/p-2 |
| InChIKey | ODJQKYXPKWQWNK-UHFFFAOYSA-N |
3,3'-thiodi(propionic acid) - Physico-chemical Properties
| Molecular Formula | C6H10O4S |
| Molar Mass | 178.21 |
| Density | 1.238 (estimate) |
| Melting Point | 131-134°C(lit.) |
| Boling Point | 280.43°C (rough estimate) |
| Flash Point | 128 °C |
| Water Solubility | 40 g/L (25 ºC) |
| Solubility | 40g/l |
| Vapor Presure | 0.004Pa at 25℃ |
| Appearance | White white solid |
| Color | White |
| Merck | 14,9332 |
| BRN | 1210299 |
| pKa | pK1:4.085;pK2:5.075 (18°C) |
| Storage Condition | Store below +30°C. |
| Refractive Index | 1.5500 (estimate) |
| MDL | MFCD00002781 |
| Physical and Chemical Properties | White crystalline solid, with slight special odor. |
| Use | antioxidants and used in the production of thioester antioxidants. |
3,3'-thiodi(propionic acid) - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R36 - Irritating to the eyes |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 2 |
| RTECS | UF7990000 |
| TSCA | Yes |
| HS Code | 29309070 |
| Toxicity | LD50 orally in Rabbit: 3000 mg/kg |
3,3'-thiodi(propionic acid) - Introduction
Solubility in water: 40g/L (25°C), easily soluble in alcohol and acetone.
Last Update：2022-10-16 17:12:02
3,3'-thiodi(propionic acid) - Reference Information
| LogP | 0.19 at 25.1℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| traits | white powder |
| properties | thiodipropionic acid is a white crystalline solid with a slight special smell. Melting point 131-133 ℃. Thiodipropionic acid is easily soluble in water, ethanol and acetone. Its solubility in water is 1.0 at 5 ℃, 1.4 at 10 ℃, 2.0 at 15 ℃, 2.5 at 20 ℃, 4.5 at 30 ℃, and 8.0 at 40 ℃. |
| use | thiodipropionic acid can mainly be used as an antioxidant and used to produce thioester antioxidants. Thiodipropionic acid is mainly used as an antioxidant for resins made from high-carbon alcohols and acids; thiodipropionic acid is also used as a raw material for antioxidants for polypropylene and non-polluting rubber; lubricating oil antioxidants; edible oils and oils Antioxidants for soap; polyoxyethylene ether thermal stabilizer. Antioxidants. Antioxidants, and used to produce thioester antioxidants |
| identification test | solubility soluble in water, soluble in ethanol (OT-42). The melting range is 130~134 ℃. Sulfur content 17.5 ~ 18.5%. Take 0.700g of sample, add 100ml of acetic acid and 50ml of ethanol, and slowly heat until completely dissolved. Add 3ml of hydrochloric acid and 4 drops of ethoxy coetine test solution (TS-98), and then carefully titrate with 0.1mol/L bromide-bromate test solution (TS-45). At the end point (pink), add more than 4 drops of indicator,. And continue to set from red to light yellow. At the same time, blank test is carried out and necessary correction is made. 0.1mol/L bromide-bromate test solution per ml is equivalent to 1.603mg of sulfur (S). |
| content analysis | take 0.350g of sample, dissolve it in 40ml of water, add phenolphthalein test solution (TS-167), titrate it with 0.1mol/L sodium hydroxide until it appears light pink for the first time and keep it at least 30s. 0.1mol/L sodium hydroxide per ml is equivalent to 8.910mg of C6H10O4S. |
| toxicity | GRAS(FDA,§ 182.3109;2000). ADI 0~0.1(FAO/WHO,2001). |
| usage limit | total antioxidant content ≤ 0.02% (based on oils and fats in food, including volatile oils; FDA § 182.3109,2000). |
| production method | is obtained by condensation, evaporation and concentration of chloropropionic acid and sodium sulfide in the presence of nitric acid, standing for filtration, desalination, decolorization or crystallization after rectification. |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50: 3980 mg/kg; Oral-mouse LD50; 2000 mg/kg |
| stimulation data | skin-rabbit 500 mg/24 hours mild; Eye-rabbit 20 mg/24 hours moderate |
| flammability hazard characteristics | combustible; combustion produces toxic sulfur oxide smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, mist water |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-10 22:29:15
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