-
Name
S-ACETYLTHIOACETIC ACID
- EINECS
- CAS No. 1190-93-8
- Article Data15
- CAS DataBase
- Density 1.337g/cm3
- Solubility
- Melting Point
- Formula C4H6 O3 S
- Boiling Point 251.1°Cat760mmHg
- Molecular Weight 134.156
- 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 22-36
-
Molecular Structure
- Hazard Symbols Xn
- 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
- PSA 79.67000
- LogP 0.35070
Acetylmercaptoacetic acid Chemical Properties
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
Acetylmercaptoacetic acid 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 . |
Acetylmercaptoacetic acid Consensus Reports
Reported in EPA TSCA Inventory.
Acetylmercaptoacetic acid Safety Profile
Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of SOx.
Acetylmercaptoacetic acid 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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