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Substance Name: Mercaptoacetic acid
RN: 68-11-1
UNII: 7857H94KHM
InChIKey: CWERGRDVMFNCDR-UHFFFAOYSA-N

Molecular Formula

  • C2-H4-O2-S

Molecular Weight

  • 92.1176
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Experimental Pesticide
  • Skin / Eye Irritant
  • Unspecified / Unclassified Pesticide

Superlist Classification Code

  • TWA (1 ppm); skin
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Names and Synonyms

Name of Substance

  • 2-Mercaptoacetate
  • Acetic acid, mercapto-
  • Mercaptoacetic acid
  • Thioglycolic acid

Synonyms

  • 2-Mercaptoacetic acid
  • 2-Thioglycolic acid
  • 4-03-00-00600 (Beilstein Handbook Reference)
  • Acetic acid, mercapto-
  • Acide thioglycolique
  • Acide thioglycolique [French]
  • AI3-24151
  • BRN 0506166
  • CCRIS 4873
  • EC 200-677-4
  • EINECS 200-677-4
  • Glycolic acid, 2-thio-
  • Glycolic acid, thio-
  • HSDB 2702
  • Kyselina merkaptooctova
  • Kyselina merkaptooctova [Czech]
  • Kyselina thioglykolova
  • Kyselina thioglykolova [Czech]
  • Mercaptoacetic acid
  • Mercaptoessigsaeure
  • NSC 1894
  • Thioglycolate
  • Thioglycolic acid
  • Thioglycollic acid
  • Thiovanic acid
  • UNII-7857H94KHM
  • USAF CB-35

Systematic Names

  • Acetic acid, 2-mercapto-
  • Acetic acid, mercapto-
  • Mercaptoacetic acid
  • Thioglycolic acid

Superlist Names

  • Acetic acid, mercapto-
  • Thioglycolic acid
  • Thioglycolic acid [UN1940] [Corrosive]
  • UN1940

Registry Numbers

CAS Registry Number

  • 68-11-1

FDA UNII

  • 7857H94KHM

Other Registry Numbers

  • 57755-20-1
  • 7283-42-3

Related Registry Numbers

  • 150-49-2 (bismuth(3+).hydrochloride salt[3:1:3])
  • 29820-13-1 (calcium salt[1:1])
  • 34452-51-2 (mono-potassium salt)
  • 367-51-1 (mono-hydrochloride salt)
  • 5421-46-5 (mono-ammonium salt)
  • 814-71-1 (calcium salt[2:1])

System Generated Number

  • 0000068111

Structure Descriptors

InChI

InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)

InChIKey

CWERGRDVMFNCDR-UHFFFAOYSA-N

Smiles

OC(=O)CS

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intraperitoneal 157mg/kg (157mg/kg)   Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974.
guinea pig LD50 oral 126mg/kg (126mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 586, 1969.
mammal (species unspecified) LD50 oral 250mg/kg (250mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974.
mouse LCLo inhalation 7mg/m3/2H (7mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 111, 1982.
mouse LD50 intraperitoneal 138mg/kg (138mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 1713, 1981.
mouse LD50 intravenous 145mg/kg (145mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 60, Pg. 278, 1964.
mouse LD50 oral 242mg/kg (242mg/kg)   Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974.
mouse LD50 skin 47mg/kg (47mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.
rabbit LD50 intravenous 100mg/kg (100mg/kg)   Biochemical Journal. Vol. 41, Pg. 325, 1947.
rabbit LD50 oral 119mg/kg (119mg/kg)   Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974.
rabbit LDLo skin 300mg/kg (300mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 13(1), Pg. 48, 1969.
rat LC50 inhalation 210mg/m3/4H (210mg/m3) LUNGS, THORAX, OR RESPIRATION: CHANGES IN LUNG WEIGHT

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: FOOD INTAKE (ANIMAL)		 National Technical Information Service. Vol. OTS0554077,
rat LD50 intraperitoneal 70mg/kg (70mg/kg)   Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974.
rat LD50 oral 114mg/kg (114mg/kg)   Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.65E+01 deg C   EXP
pKa Dissociation Constant 3.55 (none)   EXP
log P (octanol-water) 0.09 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EXP
Henry's Law Constant 1.94E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.85E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.