3,3'-Thiodipropionic acid Structure

3,3'-Thiodipropionic acid

Chemical Properties

Melting point 131-134 °C(lit.)
Boiling point 280.43°C (rough estimate)
Density  1.238 (estimate)
vapor pressure  0.004Pa at 25℃
refractive index  1.5500 (estimate)
Flash point 128 °C
storage temp.  Store below +30°C.
solubility  40g/l
pka pK1:4.085;pK2:5.075 (18°C)
form  Fine Crystalline Powder
color  White
Water Solubility  40 g/L (25 ºC)
Merck  14,9332
BRN  1210299
Cosmetics Ingredients Functions SKIN CONDITIONING
InChI 1S/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIKey ODJQKYXPKWQWNK-UHFFFAOYSA-N
SMILES OC(=O)CCSCCC(O)=O
LogP 0.19 at 25.1℃
CAS DataBase Reference 111-17-1(CAS DataBase Reference)
SCOGS (Select Committee on GRAS Substances) Thiodipropionic acid
Substances Added to Food (formerly EAFUS) THIODIPROPIONIC ACID
FDA 21 CFR 175.300; 177.1010; 178.2010;181.24
EWG's Food Scores 1
FDA UNII 3BBK323ED8
NIST Chemistry Reference 3,3'-Thiodipropionic acid(111-17-1)
EPA Substance Registry System Propanoic acid, 3,3'-thiobis- (111-17-1)
UNSPSC Code 12352106
NACRES NA.22
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Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H319
Precautionary statements P264-P280-P305+P351+P338-P337+P313
Hazard Codes  Xi
Risk Statements  36/37/38-36
Safety Statements  26-36-37/39-24/25
WGK Germany  2
RTECS  UF7990000
TSCA  TSCA listed
HS Code  29309070
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Hazardous Substances Data 111-17-1(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: 3000 mg/kg
NFPA 704:
0
2 0

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