999-90-6

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999-90-6 Structure

Identification	Back Directory
[Name] S-TERT-BUTYL THIOACETATE
[CAS] 999-90-6
[Synonyms] CH3C(O)SC(CH3)3 S-TERT-BUTYL THIOACETATE S-tert-Butyl thioacetate 98% S-(tert-Butyl) ethanethioate Thioacetic acid S-tert-butyl ester Thioacetic acid S-(tert-butyl) ester Ethanethioic acid S-tert-butyl ester Ethanethioic acid, S-(1,1-dimethylethyl) ester
[Molecular Formula] C6H12OS
[MDL Number] MFCD00042941
[MOL File] 999-90-6.mol
[Molecular Weight] 132.22

Chemical Properties	Back Directory
[Boiling point ] 135-136 °C(lit.)
[density ] 0.927 g/mL at 25 °C(lit.)
[refractive index ] n20/D 1.453(lit.)
[Fp ] 93 °F
[form ] liquid
[BRN ] 1740436
[InChI] 1S/C6H12OS/c1-5(7)8-6(2,3)4/h1-4H3
[InChIKey] PJFHXBBYLAVSLJ-UHFFFAOYSA-N
[SMILES] CC(=O)SC(C)(C)C
[LogP] 2.133 (est)

Safety Data	Back Directory
[Risk Statements ] 10
[Safety Statements ] 23-24/25
[RIDADR ] UN 1993 3/PG 3
[WGK Germany ] 3
[F ] 9-13
[HazardClass ] 3.2
[PackingGroup ] III
[Storage Class] 3 - Flammable liquids
[Hazard Classifications] Flam. Liq. 3

Hazard Information	Back Directory
[Uses] S-tert-Butyl thioacetate may be used for the preparation of vinyloxyborane derivative.
[General Description] S-tert-Butyl thioacetate is a thioester.
[Purification Methods] Dissolve it in CHCl3 (EtOH-free), wash with H2O, 10% H2SO4, saturated aqueous NaHCO3 (care CO2 liberated), H2O again, dry over Drierite and anhydrous K2CO3, and fractionate under reduced pressure. [Rylander & Tarbell J Am Chem Soc 72 3021 1950, Beilstein 2 IV 546.]

Spectrum Detail	Back Directory
[Spectrum Detail] S-TERT-BUTYL THIOACETATE(999-90-6)MS S-TERT-BUTYL THIOACETATE(999-90-6)IR1

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