3-(Methylthio)propyl isothiocyanate
ALDRICH/W331201 - ≥98%, FG
Synonym: radish isothiocyanate
CAS Number: 505-79-3
Empirical Formula (Hill Notation): C5H9NS2
Molecular Weight: 147.26
EC Number: 208-020-3
MDL Number: MFCD00209521
Linear Formula: CH3S(CH2)3NCS
Product Type: Chemical
agency | meets purity specifications of JECFA |
application(s) | flavors and fragrances |
assay | ≥98% |
biological source | synthetic |
bp | 254 °C (lit.) |
density | 1.102 g/mL at 25 °C (lit.) |
documentation | see Safety & Documentation for available documents |
food allergen | no known allergens |
grade | FG |
Halal | |
Kosher | |
InChI | 1S/C5H9NS2/c1-8-4-2-3-6-5 |
InChI key | LDKSCZJUIURGMW-UHFFFAOYSA |
organoleptic | pungent; vegetable; sulfurous |
Quality Level | 400 |
refractive index | n |
reg. compliance | EU Regulation 1334/2008 & 178/2002 |
SMILES string | CSCCCN=C=S |
Application: |
|
Packaging: | 1 kg in glass bottle |
Packaging: | 25, 100 g in glass bottle |
Symbol | GHS07 |
Signal word | Warning |
Hazard statements | H315 - H319 |
Precautionary statements | P302 + P352 - P305 + P351 + P338 |
Hazard Codes | Xi |
Risk Statements | 36/38 |
Safety Statements | 26 |
RIDADR | UN 3334 |
WGK Germany | WGK 3 |
Flash Point(F) | 230.0 °F - closed cup |
Flash Point(C) | 110 °C - closed cup |
Purity | ≥98% |
bp | 254 °C (lit.) |
Density | 1.102 g/mL at 25 °C (lit.) |
Refractive Index | n |
FEMA Number | 3312 |
UNSPSC | 12164502 |