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Acetylmercaptoacetic acid

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Name Acetylmercaptoacetic acid EINECS
CAS No. 1190-93-8 Density 1.337g/cm3
Solubility Melting Point
Formula C4H6 O3 S Boiling Point 251.1°Cat760mmHg
Molecular Weight 134.16 Flash Point 105.6°C
Transport Information Appearance
Safety Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of SOx. Risk Codes
Molecular Structure Molecular Structure of 1190-93-8 (Acetic acid,2-(acetylthio)-) Hazard Symbols
Synonyms

Aceticacid, (acetylthio)- (9CI); Acetic acid, mercapto-, acetate (6CI,7CI,8CI);Acetic acid, thio-, S-ester with mercaptoacetic acid (8CI); (Acetylthio)aceticacid; 2-Acetylthioacetic acid; S-Acetyl-2-mercaptoacetic acid;S-Acetylmercaptoacetic acid; S-Acetylthioacetic acid; S-Acetylthioglycolic acid

 

Chemistry


IUPAC Name: 2-acetylsulfanylacetic acid 
Molecular Weight: 134.15364 g/mol
Molecular Formula: C4H6O3S
Density: 1.337 g/cm3
Boiling Point: 251.1 °C at 760 mmHg
Flash Point: 105.6 °C  
Index of Refraction: 1.513
Molar Refractivity: 30.17 cm3
Molar Volume: 100.2 cm3
Polarizability: 11.96*10-24 cm3
Surface Tension: 51.6 dyne/cm 
Enthalpy of Vaporization: 53.77 kJ/mol
Vapour Pressure: 0.00659 mmHg at 25 °C 
XLogP3-AA: 0.3
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 134.003765
MonoIsotopic Mass: 134.003765
Topological Polar Surface Area: 54.4
Heavy Atom Count: 8
Complexity: 110
Canonical SMILES: CC(=O)SCC(=O)O
InChI: InChI=1S/C4H6O3S/c1-3(5)8-2-4(6)7/h2H2,1H3,(H,6,7)
InChIKey: QSBWDKUBOZHGOU-UHFFFAOYSA-N
EINECS: 214-725-7
Product Categories: Metal Isotopes; Sulfur & Selenium Compounds

Toxicity Data With Reference

1.    

ipr-mus LD50:150 mg/kg

    NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 .

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of SOx.

Specification

 Acetylmercaptoacetic acid (CAS NO.1190-93-8) is also called Acetylthioglycolic acid ; s-Acetylthioacetic acid ; Rarechem al BO 0834 ; (Acetylthio)-aceticaci ; Acetylmercapto-aceticaci ; Acetylmercaptoaceticacid ; Mercapto-aceticaciacetate .  Acetylmercaptoacetic acid (CAS NO.1190-93-8) is high toxic. It is flammable. Acetylmercaptoacetic acid (CAS NO.1190-93-8) will emit toxic sulfur oxide fumes by heat. So the storage environment should be ventilate, low-temperature and dry.

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