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ChemicalBook--->CAS DataBase List--->505-79-3

505-79-3

505-79-3 Structure

505-79-3 Structure
IdentificationMore
[Name]

3-(Methylthio)propyl isothiocyanate
[CAS]

505-79-3
[Synonyms]

3-(METHYLMERCAPTO)PROPYL ISOTHIOCYANATE
3-(METHYLTHIO)PROPYL ISOTHIOCYANATE
FEMA 3312
IBERVERIN
1-Isothiocyanato-3-(methylsulfanyl)propane
1-isothiocyanato-3-(methylthio)-propan
1-isothiocyanato-3-(methylthio)-Propane
Propane, 1-isothiocyanato-3-(methylthio)-
3-(METHYLTHIO)PROPYL ISOTHIOCYANATE 98&
METHYLTHIOPROPYLISOTHIOCYANATE
Isothiocyanic Acid 3-(Methylthio)propyl Ester
[EINECS(EC#)]

208-020-3
[Molecular Formula]

C5H9NS2
[MDL Number]

MFCD00209521
[Molecular Weight]

147.26
[MOL File]

505-79-3.mol
Chemical PropertiesBack Directory
[Boiling point ]

254 °C(lit.)
[density ]

1.102 g/mL at 25 °C(lit.)
[FEMA ]

3312
[refractive index ]

n20/D 1.564(lit.)
[Fp ]

>230 °F
[form ]

clear liquid
[color ]

Light orange to Yellow to Green
[Odor]

at 0.01 % in propylene glycol. earthy vegetable sulfurous horseradish
[Odor Type]

rooty
[Sensitive ]

Moisture Sensitive
[JECFA Number]

1564
[InChIKey]

LDKSCZJUIURGMW-UHFFFAOYSA-N
[LogP]

2.06
[CAS DataBase Reference]

505-79-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Propane, 1-isothiocyanato-3-(methylthio)-(505-79-3)
[EPA Substance Registry System]

505-79-3(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

2810
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29309090
Hazard InformationBack Directory
[Description]

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

3-Methylthiopropyl isothiocyanate has a characteristic radish, irritating odor
[Chemical Properties]

Colorless liquid
[Occurrence]

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
[Uses]

Iberverin is an inducer of phase II detoxification enzymes.
[Preparation]

From 3-methylthiopropylamine and CSCl2.
[Aroma threshold values]

Detection: 5 ppb. Aroma characteristics at 0.1%: musty, radish, rooty, metallic, vegetative, sulfurous cabbage, horseradish with green mustard nuances
[Taste threshold values]

Taste characteristics at 5 ppm: rooty radish, sulfurous, earthy vegetative and metallic, horseradish with a methional nuance
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-(Methylthio)propyl isothiocyanate, 98%(505-79-3)
[Sigma Aldrich]

505-79-3(sigmaaldrich)
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