Thioanisole Chemical Properties

Melting point:

−15 °C(lit.)

Boiling point:

188 °C(lit.)

Density 

1.057 g/mL at 20 °C(lit.)

vapor pressure 

38.5 Pa (20 °C)

refractive index 

n20/D 1.587(lit.)

FEMA 

3873 | METHYL PHENYL SULFIDE

Flash point:

135 °F

storage temp. 

Store below +30°C.

solubility 

<1mg/l

form 

Liquid

Specific Gravity

1.058

color 

Clear light yellow to brown-yellow

Odor

at 0.10 % in propylene glycol. toluene solvent spicy woody sawdust

Odor Type

solvent

Water Solubility 

INSOLUBLE

Sensitive 

Stench

JECFA Number

459

BRN 

1904179

Dielectric constant

4.7599999999999998

Stability:

Stable. Combustible. Incompatible with strong oxidizing agents.

LogP

2.9 at 25℃

CAS DataBase Reference

100-68-5(CAS DataBase Reference)

NIST Chemistry Reference

Benzene, (methylthio)-(100-68-5)

EPA Substance Registry System

Benzene, (methylthio)- (100-68-5)

Safety Information

Hazard Codes 

Xn

Risk Statements 

22-36/37/38

Safety Statements 

26-36/39-36/37

RIDADR 

UN 1993 3/PG 3

WGK Germany 

3

RTECS 

DA6200000

F 

13

Hazard Note 

Harmful/Stench

TSCA 

Yes

HazardClass 

9

PackingGroup 

III

HS Code 

29309070

Toxicity

LD50 orally in Rabbit: 891 mg/kg

MSDS

• Language:English Provider:Methyl phenyl sulfide
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

Thioanisole Usage And Synthesis

Uses

• Thioanisole is an important raw material of light curing initiator UV-907.
• High efficiency startup agent, used for acid catalytic cracking of N-Z and protective groups of O-benzyl and O-methyl.
• Thioanisole is used as pesticide, medicine, dye intermediate.

Use Restriction

FEMA(mg/kg)：Baked products 0.06 ~ 1; non-alcoholic beverages 0.2～2.0 ; grease0.01～0.04 ; gelatin, pudding, sauce, 0.1～1.0 ; meat products 0.4～4.0; seasoning spices0.5～1.0.

Description

Thioanisole is a chiral organosulfide with a wide range of uses in the chemical, pharmaceutical, flavour and fragrance and food industries. Its use in combination with biocatalysts in immobilised cells eliminates the 2-day preparation phase and results in complete bioconversion of thioanisole within 24 hours. Degradative halogenation of thioanisoles by iodine at temperatures between 100 and 150°C produces diphenyl sulfide, diphenyl disulfide, thianthrene and trimethylsulfonium iodide, as well as small amounts of hydrogen sulfide, hydrogen iodide, iodomethane and dimethyl sulfide.

Chemical Properties

Colorless to yellow liquid

Chemical Properties

Methyl phenyl sulfide has an unpleasant odor.

Occurrence

Reported found in coffee.

Uses

Thioanisole is used in oxidative biotransformations.

Uses

Intermediate, solvent for polymeric systems.

Definition

ChEBI: Thioanisole is an aryl sulfide that is thiophenol in which the hydrogen of the thiol group has been replaced by a methyl group. It is an aryl sulfide and a member of benzenes. It is functionally related to a thiophenol.

Aroma threshold values

Aroma characteristics at 0.1% EtoH: toluene solvent, spicy, pungent, woody sawdust.

Taste threshold values

Taste characteristics at .02 to 0.5 ppm: solventy, woody, roasted coffee.

Synthesis Reference(s)

Journal of the American Chemical Society, 112, p. 186, 1990 DOI: 10.1021/ja00157a030
The Journal of Organic Chemistry, 33, p. 4290, 1968 DOI: 10.1021/jo01275a070

Flammability and Explosibility

Non flammable

Thioanisole(100-68-5)Related Product Information

• Anise oil
• Tri(o-tolyl)phosphine
• Borane-methyl sulfide complex
• Methyl salicylate
• Dimethyl sulfide
• Hydrogen Sulfide
• CARBONYL SULFIDE
• Butylated hydroxyanisole
• tert-Butyl methyl ether
• Chlorodimethylphenylsilane
• Triton X-100
• Glycidyl phenyl ether
• Diphenyl sulfide
• Sodium sulfide
• POLY(1,4-PHENYLENE SULFIDE)
• Thiophanate-methyl
• Silicone oil (high temperature)
• Methyl