| Identification | More | [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 Properties | Back 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 | [biological source]
synthetic | [Odor Type]
rooty | [Sensitive ]
Moisture Sensitive | [JECFA Number]
1564 | [Major Application]
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 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 Data | Back 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 | [Storage Class]
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 |
| Hazard Information | Back 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 |
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