Description

Benzyl mercaptan ( CAS: 100-53-8, Synonyms: (Benzylthioalcohol;alpha-Toluenethiol,99%;a-Toluenethiol10g[100-53-8];Benzylmercaptan,α-Toluenethiol,α-TolylmercaptChemicalbookan;BenzeneMthanethiol;alpha-Toluenethiol,99%100GR;alpha-Toluenethiol,99%500GR;ThiobenzylAlcoholalpha-Toluenethiol) is a food flavor permitted for use according to China's GB2760-1996. Also known as thiobenzyl alcohol, phenylmethanethiol, benzylthiol, or α-mercaptotoluene, it appears as a colorless to pale yellow liquid with an onion-like odor. It is easily oxidized in air to form dibenzyl disulfide. Its relative molecular mass is 124.22, relative density 1.058, boiling point 194–195°C, flash point 70°C, and refractive index 1.5751. It is insoluble in water but soluble in ethanol and ether. It is toxic and irritating, causing irritation to the skin, eyes, mucous membranes, and respiratory system. The preparation method involves using benzyl thiourea hydrochloride as the raw material, hydrolyzing it in a 10% sodium hydroxide solution to produce sodium benzyl mercaptan. Acid is then used to desalt, yielding a crude semi-finished product. The organic phase is separated, extracted with ether, and subjected to vacuum distillation to recover the ether. After washing with water and drying, the product is further purified by vacuum distillation to obtain the final benzyl mercaptan.

◆Chemical Properties

Melting Point	-29 °C
Boiling Point	194–195 °C (lit.)
Density	1.058 g/mL at 25 °C (lit.)
Vapor Density	>4 (vs air)
Refractive Index	n₂₀/D 1.575 (lit.)
FEMA	2147 \|BENZYL MERCAPTAN
Flash Point	158 °F
Storage Conditions	2–8 °C
Solubility	Slightly soluble in chloroform, methanol
Acidity Coefficient (pKa)	9.43 (at 25 °C)
Form	Liquid
Color	Transparent colorless to pale yellow
Odor	0.10% propylene glycol solution. Sharp garlic-onion-mint-coffee mixed odor

◆Applications

Sr. No.	Description	Application
1	Sulfur - containing pharmaceutical intermediate	Used in the synthesis of drugs with sulfur - containing pharmacophores, such as certain antibacterial and antifungal agents, by providing a sulfur - based reactive site for molecular construction.
2	Building block for heterocyclic drug synthesis	Participates in the formation of heterocyclic ring structures in drug molecules, which are crucial for the biological activity of many pharmaceutical compounds, like some central nervous system - acting drugs.
3	Reagent for protecting group manipulation	Assists in the protection and de - protection of functional groups during the multi - step synthesis of complex pharmaceutical molecules, ensuring the selectivity of reactions.
4	Precursor for prodrug design	Can be used to modify the physicochemical properties of parent drugs, improving their solubility, stability, or bioavailability, thus facilitating the development of prodrugs.

◆Product Specifications

Benzyl mercaptan ( CAS NO.100-53-8) should be handled according to standard chemical industry and pharmaceutical intermediate safety procedures. Appropriate industrial hygiene and protective measures must be followed during handling, storage and operation.

Use appropriate personal protective equipment (PPE)
Avoid inhalation of vapor or mist and contact with skin, eyes and clothing
Handle in controlled, well-ventilated environments
Keep away from heat, sparks, open flames and hot surfaces
Protect from moisture and avoid contact with water
Follow chemical handling, storage and containment protocols
Refer to Safety Data Sheet (SDS) for detailed safety, handling and storage information

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