EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

thiodiglycolic acid
acetic acid, 2,2'-thiobis-

Sponsors

Name:2-(carboxymethylsulfanyl)acetic acid
CAS Number: 123-93-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:204-663-9
FDA UNII:483M3RG5GW
Nikkaji Web:J5.546H
Beilstein Number:1764392
MDL:MFCD00004359
XlogP3-AA:0.10 (est)
Molecular Weight:150.15362000
Formula:C4 H6 O4 S
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:antioxidants
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:white powder (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 129.00 °C. @ 760.00 mm Hg
Boiling Point: 377.00 °C. @ 760.00 mm Hg (est)
Flash Point: 359.00 °F. TCC ( 181.80 °C. ) (est)
logP (o/w): -0.780 (est)
Soluble in:
 water, 4.00E+05 mg/L @ 25 °C (exp)
 water, 1e+006 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: antioxidants
reducing agents
 
Suppliers:
BRUNO BOCK
Thiodiglycolic Acid
Odor: characteristic
Use: Thiodiglycolic Acid is produced by BRUNO BOCK as high purity quality and used as raw material in the pharmaceutical industry for the synthesis of Erdostein ans for the syntesis of Polythiophene, an electroconductive polymer.
Sigma-Aldrich: Aldrich
For experimental / research use only.
2,2'-Thiodiacetic acid 98%
TCI AMERICA
For experimental / research use only.
2,2'-Thiodiglycolic Acid >98.0%(GC)(T)
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intraperitoneal-mouse LD50 300 mg/kg
National Technical Information Service. Vol. AD277-689

oral-rat LD > 500 mg/kg
National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 8, 1953.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: antioxidants
Recommendation for thiodiglycolic acid usage levels up to:
 not for fragrance use.
 
Recommendation for thiodiglycolic acid flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
NLM Hazardous Substances Data Bank:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):123-93-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :31277
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-(carboxymethylsulfanyl)acetic acid
Chemidplus:0000123933
RTECS:AJ6475000 for cas# 123-93-3
 
References:
 2-(carboxymethylsulfanyl)acetic acid
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:123-93-3
Pubchem (cid):31277
Pubchem (sid):134974751
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C14872
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2930.90.4910
Haz-Map:View
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 reducing agents
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 acetic acid, 2, 2'-thiobis-
 acetic acid, 2,2'-thiobis-
 acetic acid, thiodi-
bis(carboxymethyl)sulfide
2-(carboxymethylsulfanyl)acetic acid
(carboxymethylthio)acetic acid
2-(carboxymethylthio)acetic acid
 dicarboxydimethyl sulfide
 dicarboxymethyl sulfide
 mercaptodiacetic acid
2,2'-sulfanediyldiacetic acid
2,2'-thiobis[acetic acid]
2,2'-thiobisacetic acid
 thiodiacetic acid
2,2'-thiodiacetic acid
2,2'-thiodiethanoic acid
2,2-thiodiglycolic acid
2,2'-thiodiglycolic acid
 thiodiglycollic acid
 

Articles:

PubMed:S-carboxymethyl-l-cysteine and it (R/S)-S-oxides in beagle dog plasma and hepatic cytosol.
PubMed:Eight Zn(II) coordination networks based on flexible 1,4-di(1H-imidazol-1-yl)butane and different dicarboxylates: crystal structures, water clusters, and topologies.
PubMed:Surface-activated chemical ionization-electrospray mass spectrometry in the analysis of urinary thiodiglycolic acid.
PubMed:Toxicokinetics of bis(2-chloroethoxy)methane following intravenous administration and dermal application in male and female F344/N rats and B6C3F1 mice.
PubMed:A comprehensive understanding of thioTEPA metabolism in the mouse using UPLC-ESI-QTOFMS-based metabolomics.
PubMed:Comparative metabolism of cyclophosphamide and ifosfamide in the mouse using UPLC-ESI-QTOFMS-based metabolomics.
PubMed:Surface functionalized nano-magnetic particles for wastewater treatment: adsorption and desorption of mercury.
PubMed:Mouse recombinant phenylalanine monooxygenase and the S-oxygenation of thioether substrates.
PubMed:Supplemented creatine induces changes in human metabolism of thiocompounds and one- and two-carbon units.
PubMed:New insights into the biodegradation of thiodiglycol, the hydrolysis product of Yperite (sulfur mustard gas).
PubMed:Human phenylalanine monooxygenase and thioether metabolism.
PubMed:[14C]bis(2-chloroethoxy)methane: comparative absorption, distribution, metabolism and excretion in rats and mice.
PubMed:Ion-pair solid-phase extraction and gas chromatography-mass spectrometric determination of acidic hydrolysis products of chemical warfare agents from aqueous samples.
PubMed:Diagnostic significance of urinary thiodiglycolic acid as a possible tool for studying the role of vitamins B12 and folates in the metabolism of thiolic substances.
PubMed:Thiodiglycolic acid and dermatological reactions following S-carboxymethyl-L-cysteine administration.
PubMed:Nickel(II) complexes with different chromospheres containing macrocyclic ligands: spectroscopic and electrochemical studies.
PubMed:Electronic, EPR, magnetic and mass spectral studies of mono and homo-binuclear Co(II) and Cu(II) complexes with a novel macrocyclic ligand.
PubMed:Thiodiglycolic acid as a possible causative agent of fixed drug eruption provoked only after continuous administration of S-carboxymethyl-L-cysteine: case report and review of reported cases.
PubMed:Spectroscopic, redox and biological activities of transition metal complexes with ons donor macrocyclic ligand derived from semicarbazide and thiodiglycolic acid.
PubMed:DNA single strand breaks in peripheral lymphocytes associated with urinary thiodiglycolic acid levels in polyvinyl chloride workers.
PubMed:Synthesis and efficiency of a new chemical fixation agent for stabilizing MSWI fly ash.
PubMed:Cardiac damage in rodents after exposure to bis(2-chloroethoxy)methane.
PubMed:Bis(2-chloroethoxy)methane-induced mitochondrial and myofibrillar damage: short-term time-course study.
PubMed:Diaquabis(1,10-phenanthroline-kappa(2)N,N')manganese(II) thiodiglycolate bis(1,10-phenanthroline-kappa(2)N,N')(thiodiglycolato-kappa(2)O,O')manganese(II) tridecahydrate.
PubMed:Voltammetric determination of thiodiglycolic acid in urine.
PubMed:[The bioutilization of thiodiglycol (a breakdown product of mustard gas): isolation of degraders and investigation of degradation conditions].
PubMed:Urinary thiodiglycolic acid levels for vinyl chloride monomer-exposed polyvinyl chloride workers.
PubMed:Insights into the mechanisms of ifosfamide encephalopathy: drug metabolites have agonistic effects on alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA)/kainate receptors and induce cellular acidification in mouse cortical neurons.
PubMed:Biocatalytic transformation of [(2-Hydroxyethyl)thio]acetic acid and thiodiglycolic acid from thiodiglycol by Alcaligenes xylosoxydans ssp. xylosoxydans (SH91).
PubMed:Diurnal variation in the metabolism of S-carboxymethyl-L-cysteine in humans.
PubMed:Determination of thiodiglycolic acid in urine by capillary electrophoresis.
PubMed:Increased urinary losses of carnitine during ifosfamide chemotherapy.
PubMed:Thiomorpholine and morpholine oxidation by a cytochrome P450 in Mycobacterium aurum MO1. Evidence of the intermediates by in situ 1H NMR.
PubMed:Thiodiglycolic acid is excreted by humans receiving ifosfamide and inhibits mitochondrial function in rats.
PubMed:A 13C NMR study of 2-(13)C-chloroacetaldehyde, a metabolite of ifosfamide and cyclophosphamide, in the isolated perfused rabbit heart model. Initial observations on its cardiotoxicity and cardiac metabolism.
PubMed:Urinary thiodiglycolic acid and thioether excretion in male rats dosed with 1,2-dichloroethane.
PubMed:Dose-dependent urinary excretion of acrylonitrile metabolites by rats and mice.
PubMed:Urinary metabolites of [1,2,3-13C]acrylonitrile in rats and mice detected by 13C nuclear magnetic resonance spectroscopy.
PubMed:Evaluation of proposed sulphoxidation pathways of carbocysteine in man by HPLC quantification.
PubMed:Identification of thiodiglycolic acid, thiodiglycolic acid sulfoxide, and (3-carboxymethylthio)lactic acid as major human biotransformation products of S-carboxymethyl-L-cysteine.
PubMed:Ethylene dichloride: the influence of disulfiram or ethanol on oncogenicity, metabolism, and DNA covalent binding in rats.
PubMed:[Determination of mercapturic acid in urine samples for the monitoring of occupational exposure to xenobiotics].
PubMed:Urinary excretion of acrylonitrile and its metabolites in rats.
PubMed:A comparison of technetium-99m-thiodiglycolic acid and iodine-123-hippuran in the evaluation of equivocal upper urinary tract obstruction.
PubMed:[Study on the excretive regularity of thiodiglycolic acid in the urine of vinyl chloride exposed workers].
PubMed:Searching for the ideal kidney agent.
PubMed:Technetium thiodiglycollic acid (99mTc-TDG). A new radiopharmaceutical with the potential for the assessment of renal function.
PubMed:Comparison of the impact of continuous and intermittent exposure to vinyl chloride, including phenobarbital effect.
PubMed:Influence of exposure mode on vinyl chloride action.
PubMed:99Tcm-TDG renography with deconvolution analysis: a comparative study with 99Tcm-DTPA and 123I-hippuran.
PubMed:Sensitive flame-photometric-detector analysis of thiodiglycolic acid in urine as a biological monitor of vinyl chloride.
PubMed:[Investigations on the correlation between vinyl chloride (VCM)-uptake and excretion of its metabolites by 15 VCM-exposed workers. II. Measurements of the urinary excretion of the vcm-metabolite thiodiglycolic acid ].
PubMed:Metabolism of bis(2-chloroethyl)ether and bis(2-chloroisopropyl)ether in the rat.
PubMed:Chromatographic determination of thiodiglycolic acid - a metabolite of vinyl chloride.
PubMed:Immunotoxicologic studies with vinyl chloride in rabbits and mice.
PubMed:Identification of S-(carboxymethyl)-L-cysteine and thiodiglycolic acid, urinary metabolites of 2,2'-bis-(chloroethyl)-ether in the rat.
PubMed:Molecular mechanism of 1,1-dichloroethylene toxicity: excreted metabolites reveal different pathways of reactive intermediates.
PubMed:An analytical method, using GC-MS, for the quantitative determination of urinary thiodiglycolic acid.
PubMed:Thiodiglycolic acid: a major metabolite of bis(2-chloroethyl)ether.
PubMed:Determination of thiodiglycolic acid in urine specimens of vinyl chloride exposed workers.
PubMed:Double resonance studies of anions formed in irradiated succinic and thiodiglycolic acid.
 
Notes:
vinyl chloride metabolite in urine of rats.
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