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BENZYL ISOTHIOCYANATE Structure

BENZYL ISOTHIOCYANATE

Chemical Properties

Melting point 41 °C
Boiling point 242-243 °C(lit.)
Density  1.125 g/mL at 25 °C(lit.)
FEMA  4428 | BENZYL ISOTHIOCYANATE
refractive index  n20/D 1.6018(lit.)
Flash point >235 °F
storage temp.  2-8°C
solubility  0.1g/l
form  Liquid
Specific Gravity 1.125
color  Clear yellow
Odor at 0.10 % in dipropylene glycol. mild watercress dusty medicinal horseradish oily
Odor Type watercress
biological source synthetic
Water Solubility  Hydrolyzes in water.
Sensitive  Moisture Sensitive
JECFA Number 1562
BRN  386135
Major Application flavors and fragrances
InChI 1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey MDKCFLQDBWCQCV-UHFFFAOYSA-N
SMILES S=C=NCc1ccccc1
LogP 3.16
CAS DataBase Reference 622-78-6(CAS DataBase Reference)
EPA Substance Registry System Benzene, (isothiocyanatomethyl)- (622-78-6)

Safety Information

Hazard Codes  Xn,C,T
Risk Statements  20/21/22-36/37/38-42/43
Safety Statements  26-36/37/39
RIDADR  2810
WGK Germany  3
RTECS  NX8250000
8-19-21
Hazard Note  Corrosive/Harmful/Store under nitrogen
TSCA  TSCA listed
HazardClass  8
PackingGroup  III
HS Code  29309090
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Toxicity mmo-sat 150 mg/plate ABCHA6 44,3017,80

MSDS

Usage And Synthesis

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