T30805

Thioacetic acid

96%

• Synonym(s): TAA, TMA, Thiacetic acid
• Linear Formula: CH₃COSH
• CAS Number: 507-09-5
• Molecular Weight: 76.12
• Beilstein/REAXYS Number: 1733298
• EC Number: 208-063-8
• MDL number: MFCD00004853
• UNSPSC Code: 12352106
• PubChem Substance ID: 24900104
• NACRES: NA.22

Properties

• Quality Level: 200
• assay: 96%
• refractive index: n20/D 1.465 (lit.)
• bp: 88-91.5 °C (lit.)
• density: 1.065 g/mL at 25 °C (lit.)
• storage temp.: 2-8°C
• SMILES string: CC(S)=O
• InChI: 1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)
• InChI key: DUYAAUVXQSMXQP-UHFFFAOYSA-N

Description

Application

Thioacetic acid (TAA) can undergo:

• Enantioselective addition to nitroalkenes to form chiral 1,2-aminothiol derivatives in the presence of a novel sulfinyl urea organocatalyst. This method has been successfully employed in the synthesis of antifungal drug, sulconazole.
• Asymmetric Michael addition reaction with chalcones in the presence of a bifunctional amine thiourea catalyst to form synthetically useful thioesters.
• Asymmetric 1,6-conjugate addition with para-quinone methides in the presence of a chiral phosphoric acid catalyst to form chiral sulfur-containing diphenylmethane-type compounds.
• Conjugate addition to methacrylamides with chiral trans-2,5-disubstituted pyrrolidine auxiliaries to form chiral β-mercaptocarboxylic acid derivatives.

Thioacetic acid is a reagent for introduction of the thiol group into organic molecules.

Safety Information

• pictograms: GHS02,GHS06,GHS05
• signalword: Danger
• hcodes: H225,H301,H317,H318,H332
• pcodes: P210 - P280 - P301 + P310 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Oral - Acute Tox. 4 Inhalation - Eye Dam. 1 - Flam. Liq. 2 - Skin Sens. 1
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 64.4 °F - closed cup
• flash_point_c: 18 °C - closed cup
• ppe: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter