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Thioanisole

Product NameThioanisole
CAS100-68-5
MFC7H8S
MW124.2
EINECS202-878-2
MOL File100-68-5.mol

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.)
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

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

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.

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ChEBI: Thioanisole is an aryl sulfide that is thiophenol in which the hydrogen of the thiol group has been replaced by a methyl group.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

Preparation Products And Raw materials

Thioanisole Supplier

Thioanisole manufacturers

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