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THIODIGLYCOLIC ACID

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THIODIGLYCOLIC ACID Basic information

Product Name:
THIODIGLYCOLIC ACID
Synonyms:
  • RARECHEM AL BO 1549
  • SYM-DICARBOXY DIMETHYL DISULFIDE
  • THIODIACETIC ACID
  • THIODIGLYCOLLIC ACID
  • Thioglycolate disulfide
  • 2-{[carboxy(hydroxy)Methyl]sulfanyl}-2-hydroxyacetic acid
  • 2,2'-Disulfanediyldiacetic acid
  • Dithiodiglycolic acid >=98%
CAS:
505-73-7
MF:
C4H6O4S2
MW:
182.22
EINECS:
208-019-8
Product Categories:
  • Pharmaceutical Intermediates
Mol File:
505-73-7.mol
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THIODIGLYCOLIC ACID Chemical Properties

Melting point:
128-131 °C(lit.)
Boiling point:
395.6±27.0 °C(Predicted)
Density 
1,19 g/cm3
storage temp. 
-20°C
solubility 
DMSO (Slightly), Methanol (Slightly)
form 
Solid
pka
pK1:3.32;pK2:4.29 (25°C)
color 
White to Off-White
Water Solubility 
very faint turbidity
Cosmetics Ingredients Functions
REDUCING
InChI
InChI=1S/C4H6O4S2/c5-3(6)1-9-10-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChIKey
DLLMHEDYJQACRM-UHFFFAOYSA-N
SMILES
S(CC(O)=O)SCC(O)=O
LogP
1.390 (est)
CAS DataBase Reference
505-73-7(CAS DataBase Reference)
EPA Substance Registry System
Acetic acid, 2,2'-dithiobis- (505-73-7)
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Safety Information

Hazard Codes 
C,Xi
Risk Statements 
34-36/37/38
Safety Statements 
26-36/37/39-45-36
RIDADR 
UN 3261 8/PG 2
WGK Germany 
2
RTECS 
AJ6475000
13
TSCA 
TSCA listed
HS Code 
2930.90.4950
Storage Class
11 - Combustible Solids

MSDS

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THIODIGLYCOLIC ACID Usage And Synthesis

Uses

Thiodiglycolic acid is a major metabolite of vinyl chloride monomer and ifosfamide (an anti-cancer drug) in human urine. It is used as an analytical reagent for the detection of copper, lead, mercury and silver.

Definition

ChEBI: Thiodiacetic acid is a dicarboxylic acid.

Synthesis

Dithiol dihydroxyacetic acid was prepared as follows: 120g of 2-mercaptoacetic acid, 500g of ethyl acetate and 0.6g of potassium iodide were mixed homogeneously under the condition of temperature of 20??C according to mass to form solution A; 80g of hydrogen peroxide with the concentration of 30wt% was added to solution A slowly and the reaction was kept in a warm state for 2h; at the end of the reaction, the obtained solution was washed by 300mL of saturated sodium sulfite solution. After washing and evaporating ethyl acetate under reduced pressure, dithiol dihydroxyacetic acid was obtained.

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