Isopropyl isothiocyanate Structure

Isopropyl isothiocyanate

Chemical Properties

Melting point 168-170 °C
Boiling point 29-30 °C/10 mmHg (lit.)
Density  0.948 g/mL at 25 °C (lit.)
FEMA  4425 | ISOPROPYL ISOTHIOCYANATE
refractive index  n20/D 1.493(lit.)
Flash point 104 °F
storage temp.  Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
form  clear liquid
color  Colorless to Light orange to Yellow
Specific Gravity 0.95
Odor at 0.01 % in propylene glycol. pungent mustard
Odor Type alliaceous
Water Solubility  Miscible with methanol. Hydrolyzes in water.
Sensitive  Moisture Sensitive
JECFA Number 1888
BRN  1739163
InChI 1S/C4H7NS/c1-4(2)5-3-6/h4H,1-2H3
InChIKey VHBFEIBMZHEWSX-UHFFFAOYSA-N
SMILES CC(C)N=C=S
LogP 1.82
CAS DataBase Reference 2253-73-8(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) ISOPROPYL ISOTHIOCYANATE
FDA UNII 46561PKP9T
NIST Chemistry Reference Isopropyl isothiocyanate(2253-73-8)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H226-H315-H319-H335
Precautionary statements P210-P302+P352-P305+P351+P338
Hazard Codes  Xi,T
Risk Statements  10-36/37/38-23/24/25
Safety Statements  16-26-36-45-38-36/37/39-28A
RIDADR  UN 1993 3/PG 3
WGK Germany  3
HazardClass  8
PackingGroup  III
HS Code  29309090
Storage Class 3 - Flammable liquids
Hazard Classifications Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
NFPA 704:
2
3 0

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Isopropyl isothiocyanate Chemical Properties,Usage,Production

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