Thiodipropionic Acid (CAS 111-17-1) — formula C6H10O4S, molecular weight 178.21; category food additives.
| CAS Number | 111-17-1 |
|---|---|
| Molecular Formula | C6H10O4S |
| Molecular Weight | 178.21 |
| Melting Point | 134 °C |
| LogP | -0.1 |
| Category | Antioxidants |
Thiodipropionic Acid is a food-grade compound with CAS registry number 111-17-1 and molecular formula C6H10O4S (molecular weight 178.21), belonging to the food additives segment of chemical raw materials.
CAS number: 111-17-1
Its molecular formula C6H10O4S comprises 6 C, 10 H, 4 O, 1 S atoms.
Also known as: Thiodipropionic Acid · 硫代二丙酸
Category: food additives
The CAS registry number of Thiodipropionic Acid is 111-17-1.
Molecular formula C6H10O4S, molecular weight 178.21.
It is also registered under: Thiodipropionic Acid, 硫代二丙酸.
Category: Antioxidants.
Independent reference data for Thiodipropionic Acid (CAS 111-17-1), compiled from public chemistry databases.
| CAS Registry Number | 111-17-1 |
|---|---|
| PubChem CID | 8096 |
| Molecular formula | C6H10O4S |
| IUPAC name | 3-(2-carboxyethylsulfanyl)propanoic acid |
| UNII (FDA) | 3BBK323ED8 |
| Molecular Weight | 178.21 |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 178.02997997 |
| Monoisotopic Mass | 178.02997997 |
| Topological Polar Surface Area | 99.9 |
| Heavy Atom Count | 11 |
| Melting Point | 134 °C |
|---|---|
| Solubility | 37.2 mg/mL at 26 °C |
| Vapor Pressure | 0.0000143 [mmHg] |
| Dissociation Constants | K AT 25 °C: 7.8X10-5 |
3,3'-Thiodipropionic acid; 111-17-1; THIODIPROPIONIC ACID; Tyox A; TDPA; Propanoic acid, 3,3'-thiobis-; Bis(2-carboxyethyl) sulfide; Thiodihydracrylic acid; 4-Thiaheptanedioic acid; Sulfide, bis(2-carboxyethyl); 3,3'-Thiobis(propanoic acid); Thiahydracrylic acid; Propionic acid, 3,3'-thiodi-; Diethyl sulfide 2,2'-dicarboxylic acid; DTXSID8044200; 3BBK323ED8
| Regulatory & Food Contact | FDA Substance added to food: ANTIOXIDANT FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS ANTIOXIDANT: Food Additives JECFA ADI: 0-3 mg/kg bw NMRS 53/TRS 539-JECFA 17/19 FAS 5/NMRS 53A-JECFA 17/205 |
|---|
| Reported hazard statements | H318 (69.1%), H319 (30.9%), H314 |
|---|
H318 (69.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H319 (30.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Thiodipropionic Acid · CAS 111-17-1 · C6H10O4S. UNII 3BBK323ED8. Melting Point: 134 °C; Solubility: 37.2 mg/mL at 26 °C; Vapor Pressure: 0.0000143 [mmHg].
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 硫代二丙酸