Thiodiglycolic acid

Description

Thiodiglycolic acid · CAS 123-93-3 · C4H6O4S. UNII 483M3RG5GW. Melting Point: 129 °C; Solubility: In water, 4X10+5 mg/l @ 25 deg; Solubility: 400 mg/mL at 25 °C.

Identification

CAS Registry Number	123-93-3
PubChem CID	31277
Molecular formula	C4H6O4S
IUPAC name	2-(carboxymethylsulfanyl)acetic acid
UNII (FDA)	483M3RG5GW

Computed Descriptors

Molecular Weight	150.16
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	149.99867984
Monoisotopic Mass	149.99867984
Topological Polar Surface Area	99.9
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Melting Point	129 °C
Solubility	In water, 4X10+5 mg/l @ 25 deg
Solubility	400 mg/mL at 25 °C

Physical description & handling notes

• Colorless or white solid; [HSDB] Tan powder; [Alfa Aesar MSDS]
• Solid
• Crystals from water
• A white powder or crystals from ethyl acetate/benzene
• Colorless crystals
• Very soluble in ethanol, soluble in benzene

GHS Hazard Classification

Reported hazard statements	H314 (92.7%)

Documented Uses

• Used for detection of copper, lead, mercury, and silver; A major metabolite of vinyl chloride monomer and ifosfamide (anti-cancer drug) in human urine; [HSDB]
• Detection of copper, lead, mercury, silver.
• Preparation from sodium chloroacetate and hydrogen sulfide... .
• Acetic acid, 2,2'-thiobis-: ACTIVE
• Thioglycolic acid is manufactured by the reaction of monochloracetic acid or its salts with alkali hydrosulfides ... in aqueous medium, under controlled conditons of pressure, temperature, pH, concentration, to give a higher yield of thioglycolate salt and minimize the formation of such by-products as thiodiglycolic and dithiodiglycolic acids. The reaction mixture is acidified to liberate thioglycolic acid, which is extracted from the aqueous solution into an organic solvent, such as an ether, and then purified by
• Thiodiglycolic acid is excreted in urine.

Synonyms

Thiodiglycolic acid; 123-93-3; Thiodiacetic acid; Mercaptodiacetic acid; THIODIGLYCOLLIC ACID; TDGA; Dicarboxymethyl sulfide; 2,2'-Thiodiglycolic acid; Acetic acid, 2,2'-thiobis-; USAF E-2; USAF CB-36; (Carboxymethylthio)acetic acid; Acetic acid, thiodi-; 2,2'-Thiodiethanoic acid; 2,2'-Thiobisacetic acid; 2-[(carboxymethyl)sulfanyl]acetic acid

Frequently Asked Questions

What are the CAS number and molecular formula of Thiodiglycolic acid?

CAS 123-93-3; molecular formula C4H6O4S; molecular weight — g/mol.

What other names is Thiodiglycolic acid known by?

Thiodiglycolic acid, 123-93-3, Thiodiacetic acid, Mercaptodiacetic acid, THIODIGLYCOLLIC ACID, TDGA.

Is Thiodiglycolic acid classified as hazardous?

Hazard statements reported: H314.

What are the key physical properties of Thiodiglycolic acid?

Melting Point: 129 °C; Solubility: In water, 4X10+5 mg/l @ 25 deg; Solubility: 400 mg/mL at 25 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.