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3-(Methylthio)propyl isothiocyanate

3-(Methylthio)propyl isothiocyanate ??? ???
?? ??:
505-79-3
???:
3-(Methylthio)propyl isothiocyanate
???(??):
IBERVERIN;FEMA 3312;IBERVERIN(RG);radish isothiocyanate;Iberverin, 10 mM in DMSO;METHYLTHIOPROPYLISOTHIOCYANATE;3-(METHYLTHIO)PROPYL ISOTHIOCYANATE;3-(Methylthio)propylIsothiocyanate>1-isothiocyanato-3-(methylthio)-propan;3-(METHYLMERCAPTO)PROPYL ISOTHIOCYANATE
CBNumber:
CB4472029
???:
C5H9NS2
??? ??:
147.26
MOL ??:
505-79-3.mol
MSDS ??:
SDS

3-(Methylthio)propyl isothiocyanate ??

?? ?
254 °C(lit.)
??
1.102 g/mL at 25 °C(lit.)
???
n20/D 1.564(lit.)
FEMA
3312 | 3-METHYLTHIOPROPYL ISOTHIOCYANATE
???
>230 °F
??? ??
??? ??
??
Light orange to Yellow to Green
??
???? ??? ? 0.01%. ?? ?? ?? ?? ????
?? ??
????
???? ??
synthetic
??
Moisture Sensitive
JECFA Number
1564
?? ??
flavors and fragrances
InChI
1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3
InChIKey
LDKSCZJUIURGMW-UHFFFAOYSA-N
SMILES
CSCCCN=C=S
LogP
2.06
CAS ??????
505-79-3(CAS DataBase Reference)
NIST
Propane, 1-isothiocyanato-3-(methylthio)-(505-79-3)
EPA
Propane, 1-isothiocyanato-3-(methylthio)- (505-79-3)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xi
?? ???? ?? 23/24/25-36/38
????? 26-36
????(UN No.) 2810
WGK ?? 3
TSCA TSCA listed
?? ?? 6.1
???? III
HS ?? 29309090
???? ??? 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
????(GHS): Exclamation Mark (GHS07)
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? P264, P280, P305+P351+P338,P337+P313P
??????:
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P280 ????/???/???/?????? ?????.
P302+P352 ??? ??? ??? ?? ????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
P332+P313 ?? ??? ??? ???? ??· ??? ????.
P337+P313 ?? ?? ??? ???? ???? ??· ??? ????.
NFPA 704
1
3 0

3-(Methylthio)propyl isothiocyanate C??? ??, ??, ??

??

3-Methylthiopropyl isothiocyanate has a characteristic radish odor. May be prepared from 3-methylthiopropylamine and CSCl2.

??? ??

Colorless liquid

??

Reported found in the hydrolysates of crucifer seeds and Lesquerella seed meal, in Iberis sempervirens seeds, in cabbage, kohlrabi, horseradish, Japanese horseradish, cauliflower and radish

??

Iberverin is an inducer of phase II detoxification enzymes.

?? ??

From 3-methylthiopropylamine and CSCl2.

3-(Methylthio)propyl isothiocyanate ?? ?? ? ???

???

?? ??


3-(Methylthio)propyl isothiocyanate ?? ??

???( 170)?? ??
??? ?? ??? ?? ?? ? ??
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3-(Methylthio)propyl isothiocyanate ?? ??:

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