100-68-5

Name	Thioanisole
CAS	100-68-5
EINECS(EC#)	202-878-2
Molecular Formula	C7H8S
MDL Number	MFCD00008559
Molecular Weight	124.2
MOL File	100-68-5.mol

Chemical Properties

Appearance	Colorless to yellow liquid
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
refractive index	n20/D 1.587(lit.)
Fp	135 °F
storage temp.	2-8°C
solubility	<1mg/l
form	Liquid
color	Clear light yellow to brown-yellow
Specific Gravity	1.058
Odor	at 0.10 % in propylene glycol. toluene solvent spicy woody sawdust
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents.
Odor Type	solvent
Water Solubility	INSOLUBLE
Sensitive	Stench
Detection Methods	GC,NMR
JECFA Number	459
BRN	1904179
Dielectric constant	4.7599999999999998
LogP	2.9 at 25℃
Uses	Intermediate, solvent for polymeric systems. less more
CAS DataBase Reference	100-68-5(CAS DataBase Reference)
NIST Chemistry Reference	Benzene, (methylthio)-(100-68-5)
EPA Substance Registry System	100-68-5(EPA Substance)

Safety Data

Hazard Codes	Xn
Risk Statements	R22:Harmful if swallowed. R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/39:Wear suitable protective clothing and eye/face protection . S36/37:Wear suitable protective clothing and gloves . less more
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 less more

Raw materials And Preparation Products

Hazard Information

Description

Thioanisole(100-68-5) 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.

Definition

ChEBI: Thioanisole(100-68-5) 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

Nonflammable

Material Safety Data Sheet(MSDS)

Questions And Answer

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

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100-68-5

Chemical Properties

Safety Data

Raw materials And Preparation Products

Preparation Products

Hazard Information

Description

Chemical Properties

Chemical Properties

Occurrence

Definition

Aroma threshold values

Taste threshold values

Synthesis Reference(s)

Flammability and Explosibility

Material Safety Data Sheet(MSDS)

Questions And Answer

Uses

Use Restriction

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

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