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????? ??? ???
?? ??:
100-68-5
???:
?????
???(??):
?????
???:
Thioanisole
???(??):
MPS;Methyl(phenyl)sulfane;PHSME;METHYL PHENYL SULFIDE;THIOANISOL;Thioanisole (L);Benzene, (methylthio)-;(Methylsulfanyl)benzene;Thioanisole Vetec(TM) reagent grade, 98%;FEMA 3873
CBNumber:
CB9233364
???:
C7H8S
??? ??:
124.2
MOL ??:
100-68-5.mol
MSDS ??:
SDS

????? ??

???
−15 °C(lit.)
?? ?
188 °C(lit.)
??
1.057 g/mL at 20 °C(lit.)
???
38.5 Pa (20 °C)
FEMA
3873 | METHYL PHENYL SULFIDE
???
n20/D 1.587(lit.)
???
135 °F
?? ??
Store below +30°C.
???
<1mg/L
??? ??
??
??
???? ?? ????? ??-?????
Specific Gravity
1.058
??
???? ??? ? 0.10%. ??? ?? ?? ?? ??
?? ??
??
???? ??
synthetic
???
???
??
Stench
JECFA Number
459
BRN
1904179
Henry's Law Constant
4.0×10-2 mol/(m3Pa) at 25℃, Hine and Mookerjee (1975)
Dielectric constant
4.7599999999999998
???
????. ?? ??. ?? ???? ???? ????.
?? ??
????
???
?? ? ?
?? ? ??
?? ?? ??
InChI
1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
HNKJADCVZUBCPG-UHFFFAOYSA-N
SMILES
CSc1ccccc1
LogP
2.9 at 25℃
CAS ??????
100-68-5(CAS DataBase Reference)
NIST
Benzene, (methylthio)-(100-68-5)
EPA
Benzene, (methylthio)- (100-68-5)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xn
?? ???? ?? 22-36/37/38
????? 26-36/39-36/37
????(UN No.) UN 1993 3/PG 3
WGK ?? 3
RTECS ?? DA6200000
F ?????? 13
?? ?? ?? Harmful/Stench
TSCA TSCA listed
?? ?? 9
???? III
HS ?? 29309070
???? ??? 10 - Combustible liquids
Hazard Classifications Aquatic Chronic 2
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1B
?? LD50 orally in Rabbit: 891 mg/kg
???? ?? 2000-3-1441
????(GHS): Exclamation Mark (GHS07)Environment (GHS09)
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H302 ??? ??? ?? ?? ?? - ?? ?? 4 ?? P264, P270, P301+P312, P330, P501
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? P264, P280, P302+P352, P321,P332+P313, P362
H317 ????? ?? ??? ??? ? ?? ?? ??? ?? ?? 1 ?? P261, P272, P280, P302+P352,P333+P313, P321, P363, P501
H411 ??? ??? ?? ????? ??? ?? ????? ?? - ?? ?? 2
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P273 ???? ???? ???.
P280 ????/???/???/?????? ?????.
P301+P312 ??? ???? ??? ????(??)? ??? ????.
P302+P352 ??? ??? ??? ?? ????.
NFPA 704
2
2 0

????? MSDS


Methyl phenyl sulfide

????? C??? ??, ??, ??

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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.

??? ??

Colorless to yellow liquid

??

Reported found in coffee.

??

Thioanisole is used in oxidative biotransformations.

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