Thioanisole

Thioanisole Basic information
Uses Use Restriction
Product Name:Thioanisole
Synonyms:Thioanisole ReagentPlus(R), >=99%;(1-Thiaethyl)benzene;(Methylsulfanyl)benzene;(methylthio)-benzen;1-Phenyl-1-thiaethane;Anisole, thio-;Methyl phenyl sulphide;methylphdenylsulfide
CAS:100-68-5
MF:C7H8S
MW:124.2
EINECS:202-878-2
Product Categories:Drug Discovery;Other Reagents;sulfide Flavor;Intermediates;bc0001;HL00006
Mol File:100-68-5.mol
Thioanisole Structure
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)
FEMA 3873 | METHYL PHENYL SULFIDE
refractive index n20/D 1.587(lit.)
Fp 135 °F
storage temp. Store below +30°C.
solubility <1mg/l
form Liquid
Specific Gravity1.058
color Clear light yellow to brown-yellow
Odorat 0.10 % in propylene glycol. toluene solvent spicy woody sawdust
Odor Typesolvent
Water Solubility INSOLUBLE
Sensitive Stench
JECFA Number459
BRN 1904179
Stability:Stable. Combustible. Incompatible with strong oxidizing agents.
LogP2.9 at 25℃
CAS DataBase Reference100-68-5(CAS DataBase Reference)
NIST Chemistry ReferenceBenzene, (methylthio)-(100-68-5)
EPA Substance Registry SystemBenzene, (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
13
Hazard Note Harmful/Stench
TSCA Yes
HazardClass 9
PackingGroup III
HS Code 29309070
ToxicityLD50 orally in Rabbit: 891 mg/kg
MSDS Information
ProviderLanguage
Methyl phenyl sulfide English
SigmaAldrich English
ACROS English
ALFA English
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 RestrictionFEMA(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.
Chemical PropertiesMethyl phenyl sulfide has an unpleasant odor.
Chemical PropertiesColorless to yellow liquid
OccurrenceReported found in coffee.
UsesIntermediate, solvent for polymeric systems.
UsesThioanisole is used in oxidative biotransformations.
DefinitionChEBI: Thioanisole is an aryl sulfide that is thiophenol in which the hydrogen of the thiol group has been replaced by a methyl group.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 valuesAroma characteristics at 0.1% EtoH: toluene solvent, spicy, pungent, woody sawdust.
Taste threshold valuesTaste 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 ExplosibilityNonflammable
3,5-BIS(TRIFLUOROMETHYL)THIOANISOLE 4-(N-BUTYLTHIO)THIOANISOLE Methyl THIOANISOLE-4-BORONIC ACID 4-TRIMETHYLSILYL-THIOANISOLE (R)-A,A-BIS(4-THIOANISOLE)-2-PYRROLIDINEMETHANOL HYDROCHLORIDE polyphenylene sulfide fibre 4-ISOBUTYRO THIOANISOLE 3-FLUORO THIOANISOLE 99%MIN POLY(1,4-PHENYLENE SULFIDE) 4-(TRIFLUOROMETHOXY)THIOANISOLE Anise oil 3-(2-THIOANISOLE)PHENYLMAGNESIUM BROMIDE 3-hydroxy-à,à,à-trifluoro(thioanisole),3-Hydroxy-alpha,alpha,alpha-trifluoro(thioanisole) 4-CHLOROPHENYL 2-CHLORO-1,1,2-TRIFLUOROETHYL SULFONE 4-CHLOROPHENYL SULFOXIDE methylphenyl silicone resin 4,4'-Dichlorodiphenyl sulfone

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