(S)-methyl thiobenzoate Property

Boiling point:

134 °C(Press: 25 Torr)

Density 

1.1381 g/cm3(Temp: 25 °C)

FEMA 

3857 | S-METHYL BENZOTHIOATE

Odor

at 0.10 % in propylene glycol. sulfurous cabbage garlic potato vegetable

Odor Type

sulfurous

JECFA Number

504

LogP

2.23

CAS DataBase Reference

5925-68-8

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P330Rinse mouth.

P501Dispose of contents/container to..…

(S)-methyl thiobenzoate Chemical Properties,Usage,Production

Definition

ChEBI: S-Methyl benzenecarbothioate is a member of benzoic acids.

Synthesis Reference(s)

[1] Controllable Phosphorylation of Thioesters: Selective Synthesis of Aryl and Benzyl Phosphoryl Compounds. J. Org. Chem. 2020, 85, 22, 14653–14663.

Synthesis

A mixture of a well-powdered benzoic anhydride (6.0 mmol), thiourea (6.5 mmol), and Et3N (2.5 mL) was stirred at 40 °C until the starting anhydride was completely consumed and a two-phase system containing Et3N and a thick brick-red liquid was formed. Then, water (5.0 mL) and CH3I (5.0 mmol) were added to the mixture, and stirring was continued at room temperature. After consumption of starting CH3I (3 h), the crude product was extracted with EtOAc (15 mL × 2). The crude product was purified by column chromatography over silica gel (300–400 mesh) using petroleum ether/ethyl acetate as an eluent to give analytically pure product (S)-methyl thiobenzoate.