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Thioanisole

CAS No.
100-68-5
Chemical Name:
Thioanisole
Synonyms
MPS;Methyl(phenyl)sulfane;PHSME;METHYL PHENYL SULFIDE;THIOANISOL;Thioanisole (L);Benzene, (methylthio)-;Thioanisole Vetec(TM) reagent grade, 98%;FEMA 3873;THIOANISOLE
CBNumber:
CB9233364
Molecular Formula:
C7H8S
Molecular Weight:
124.2
MDL Number:
MFCD00008559
MOL File:
100-68-5.mol
MSDS File:
SDS
Last updated:2024-07-29 15:17:36

Thioanisole 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.)
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℃
Substances Added to Food (formerly EAFUS) METHYL PHENYL SULFIDE
CAS DataBase Reference 100-68-5(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII BB4K737YF4
NIST Chemistry Reference Benzene, (methylthio)-(100-68-5)
EPA Substance Registry System Benzene, (methylthio)- (100-68-5)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictogramsGHS hazard pictograms
GHS07,GHS09
Signal word  Warning
Hazard statements  H302-H315-H317-H411
Precautionary statements  P261-P264-P273-P280-P301+P312-P302+P352
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
Toxicity LD50 orally in Rabbit: 891 mg/kg
NFPA 704
2
2 0

Thioanisole price More Price(32)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich T28002 Thioanisole ReagentPlus , ≥99% 100-68-5 25g $39.7 2024-03-01 Buy
Sigma-Aldrich 8.20825 Methyl phenyl sulfide for synthesis 100-68-5 100mL $69.8 2024-03-01 Buy
Sigma-Aldrich 8.20825 Methyl phenyl sulfide for synthesis 100-68-5 500mL $249 2024-03-01 Buy
TCI Chemical T0191 Thioanisole >99.0%(GC) 100-68-5 25mL $21 2024-03-01 Buy
TCI Chemical T0191 Thioanisole >99.0%(GC) 100-68-5 100mL $42 2024-03-01 Buy
Product number Packaging Price Buy
T28002 25g $39.7 Buy
8.20825 100mL $69.8 Buy
8.20825 500mL $249 Buy
T0191 25mL $21 Buy
T0191 100mL $42 Buy

Thioanisole Chemical Properties,Uses,Production

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

Methyl phenyl sulfide has an unpleasant odor.

Chemical Properties

Colorless to yellow liquid

Occurrence

Reported found in coffee.

Uses

Intermediate, solvent for polymeric systems.

Uses

Thioanisole is used in oxidative biotransformations.

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

108-98-5
74-88-4
100-68-5
Synthesis of Thioanisole from Thiophenol and Iodomethane
Global( 409)Suppliers
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Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
Methyl phenyl sulfide pictures 2024-10-11 Methyl phenyl sulfide
100-68-5
US $5.00-2.00 / KG 1KG 99% 10000kg Hebei Chuanghai Biotechnology Co,.LTD
Thioanisole pictures 2024-07-22 Thioanisole
100-68-5
US $0.00-0.00 / kg 1kg 98% 10ton JINING XINHE CHEMICAL CO., LTD
Thioanisole pictures 2023-01-31 Thioanisole
100-68-5
US $50.00 / KG 1KG 99% 5000KG Hebei Mojin Biotechnology Co., Ltd
  • Thioanisole pictures
  • Thioanisole
    100-68-5
  • US $0.00-0.00 / kg
  • 98%
  • JINING XINHE CHEMICAL CO., LTD
  • Thioanisole pictures
  • Thioanisole
    100-68-5
  • US $50.00 / KG
  • 99%
  • Hebei Mojin Biotechnology Co., Ltd
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