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Phenethyl isothiocyanate Structure

Phenethyl isothiocyanate

Chemical Properties

Melting point 143~145℃
Boiling point 75 °C0.25 mm Hg
Density  1.094 g/mL at 25 °C(lit.)
refractive index  n20/D 1.5888(lit.)
FEMA  4014 | PHENETHYL ISOTHIOCYANATE
Flash point >230 °F
storage temp.  2-8°C
solubility  DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 30 mg/ml
form  Liquid
Specific Gravity 1.09
color  Clear colorless to yellow
Odor at 0.01 % in propylene glycol. green horseradish gooseberry watercress
Odor Type sulfurous
Water Solubility  insoluble
Sensitive  Moisture Sensitive
JECFA Number 1563
Merck  14,7226
BRN  2084162
InChIKey IZJDOKYDEWTZSO-UHFFFAOYSA-N
LogP 3.47
CAS DataBase Reference 2257-09-2(CAS DataBase Reference)
NIST Chemistry Reference Benzene, (2-isothiocyanatoethyl)-(2257-09-2)
EPA Substance Registry System Benzene, (2-isothiocyanatoethyl)- (2257-09-2)

Safety Information

Hazard Codes  Xn
Risk Statements  20/21/22-36/37/38-42-42/43
Safety Statements  23-26-36-36/37
RIDADR  UN 2206 6.1/PG 3
WGK Germany  3
RTECS  NX9115000
10-23
TSCA  Yes
HazardClass  8
PackingGroup  III
HS Code  29309090
Toxicity LD50 in mice (mg/kg): 700 orally; 150 s.c.; 50 i.v. (Lichtenstein)

MSDS

Usage And Synthesis

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