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Butyl isothiocyanate Structure

Butyl isothiocyanate

Chemical Properties

Melting point 115 °C
Boiling point 70-71 °C35 mm Hg(lit.)
Density  0.955 g/mL at 25 °C(lit.)
refractive index  n20/D 1.5(lit.)
FEMA  4082 | BUTYL ISOTHIOCYANATE
Flash point 66 °C
form  clear liquid
color  Colorless to Light yellow
Odor at 0.01 % in propylene glycol. sulfury pungent green
Odor Type sulfurous
Water Solubility  Insoluble in water.
Sensitive  Moisture Sensitive
JECFA Number 1561
BRN  906839
Major Application cleaning products
cosmetics
food and beverages
personal care
InChI 1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3
InChIKey LIMQQADUEULBSO-UHFFFAOYSA-N
SMILES CCCCN=C=S
LogP 2.53
CAS DataBase Reference 592-82-5(CAS DataBase Reference)
EPA Substance Registry System Butane, 1-isothiocyanato- (592-82-5)

Safety Information

Hazard Codes  C
Risk Statements  20/21/22-34-42
Safety Statements  23-26-36/37-39-45
RIDADR  UN 1693 6.1/PG 2
WGK Germany  3
RTECS  NX8420500
F  3-21
Hazard Note  Corrosive/Moisture Sensitive
TSCA  TSCA listed
HazardClass  8
PackingGroup  III
HS Code  29309090
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Dam. 1
Resp. Sens. 1
Skin Corr. 1B
Skin Sens. 1

MSDS

Usage And Synthesis

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