ChemicalBook--->CAS DataBase List--->123-93-3

123-93-3

123-93-3 Structure

123-93-3 Structure
IdentificationMore
[Name]

Thiodiglycolic acid
[CAS]

123-93-3
[Synonyms]

2,2'-DITHIODIACETIC ACID
2,2'-THIO-BIS(ACETIC ACID)
2,2'-THIODIACETIC ACID
2,2'-THIODIGLYCOLIC ACID
ACETIC ACID, 2,2'-THIOBIS-
BIS(CARBOXYMETHYL)-SULFIDE
CARBOXYMETHYL DISULFIDE
DICARBOXYDIMETHYL SULFIDE
DIMETHYL SULFIDE-ALPHA,ALPHA'-DICARBOXYLIC ACID
DITHIODIACETIC ACID
DITHIODIGLYCOLIC ACID
DITHIOGLYCOLIC ACID
MERCAPTODIACETIC ACID
RARECHEM AL BO 1549
SYM-DICARBOXY DIMETHYL DISULFIDE
THIODIACETIC ACID
THIODIGLYCOLIC ACID
THIODIGLYCOLLIC ACID
(carboxymethylthio)aceticacid
2,2’-thiobis-aceticaci
[EINECS(EC#)]

204-663-9
[Molecular Formula]

C4H6O6S
[MDL Number]

MFCD00004359
[Molecular Weight]

182.15
[MOL File]

123-93-3.mol
Chemical PropertiesBack Directory
[Appearance]

GREYISH CRYSTALLINE POWDER
[Melting point ]

128-131 °C(lit.)
[Boiling point ]

241.69°C (rough estimate)
[density ]

1.352 (estimate)
[refractive index ]

1.5500 (estimate)
[storage temp. ]

−20°C
[solubility ]

400g/l
[form ]

Crystalline Powder
[pka]

pK1:3.32;pK2:4.29 (25°C)
[color ]

White to grayish
[PH]

2.2 (10g/l, H2O, 20℃)
[Water Solubility ]

soluble
[Sensitive ]

Stench
[Merck ]

14,9331
[BRN ]

1764392
[Henry's Law Constant]

2.2×108 mol/(m3Pa) at 25℃, HSDB (2015)
[Cosmetics Ingredients Functions]

REDUCING
ANTIOXIDANT
[InChI]

1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
[InChIKey]

UVZICZIVKIMRNE-UHFFFAOYSA-N
[SMILES]

OC(=O)CSCC(O)=O
[LogP]

-0.780 (est)
[CAS DataBase Reference]

123-93-3(CAS DataBase Reference)
[EPA Substance Registry System]

123-93-3(EPA Substance)
Questions And AnswerBack Directory
[Synthesis]

Preparation of 2,2'-Thiodiacetic acid: 540 g (3.6 mol) of DL-methionine, 408 g (4.32 mol) of chloroacetic acid, and 3 L of water were added to a 5 L four-necked flask. The mixture was stirred until homogeneous and then slowly heated to 80 °C for 8 h. After the reaction was completed, the solvent water was recovered by cooling and reducing the pressure, yielding a total of 936 g of a mixture of DL-homoserine lactone hydrochloride, methionylacetic acid, and 2,2'-Thiodiacetic acid.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P302+P352-P305+P351+P338
[Hazard Codes ]

C
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3261 8/PG 2
[WGK Germany ]

3
[RTECS ]

AJ6475000
[F ]

13
[Autoignition Temperature]

350 °C
[Hazard Note ]

Corrosive/Stench
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29309070
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Safety Profile]

Poison by intraperitoneal route. When heated to decomposition or on contact with acid or acid fumes it emits toxic fumes of SOx. See also MERCAPTOACETIC ACID.
[Hazardous Substances Data]

123-93-3(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: > 2000 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sulfuric acid-->Acrylonitrile-->Sodium hydrosulfide-->NSC26196-->Dichloroacetic acid
[Preparation Products]

1-OXIDE-4-THIOMORPHOLINE-->Dimethyl Thiodiglycolate-->Thiodiglycolic Anhydride-->(METHYLTHIO)ACETIC ACID
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Dicarboxydimethyl sulfide(123-93-3).msds
Hazard InformationBack Directory
[Chemical Properties]

GREYISH CRYSTALLINE POWDER
[Uses]

Detection of copper, lead, mercury, silver: Dubsky et al., C.A. 34, 6185 (1940).
[Uses]

It finds it applications in the production of [1,4]oxathiane-2,6-dione by heating. It is employed as an anti-oxidant and reducing agent in cosmetics industry.
[Definition]

ChEBI: Thiodiacetic acid is a dicarboxylic acid.
[Purification Methods]

Crystallise the acid from water. [Beilstein 3 IV 612.]
Spectrum DetailBack Directory
[Spectrum Detail]

Thiodiglycolic acid(123-93-3)MS
Thiodiglycolic acid(123-93-3)1HNMR
Thiodiglycolic acid(123-93-3)13CNMR
Thiodiglycolic acid(123-93-3)IR1
Thiodiglycolic acid(123-93-3)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Thiodiglycolic acid, 98%(123-93-3)
[Alfa Aesar]

Thiodiglycolic acid, 98%(123-93-3)
[Sigma Aldrich]

123-93-3(sigmaaldrich)
[TCI AMERICA]

2,2'-Thiodiglycolic Acid,>98.0%(T)(123-93-3)
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