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Octyl isocyanate

Basic information Safety Supplier Related

Octyl isocyanate Basic information

Product Name:
Octyl isocyanate
Synonyms:
  • 1-isocyanato-octan
  • 1-OCTYL ISOCYANATE
  • N-OCTYL ISOCYANATE
  • OCTYL ISOCYANATE
  • Isocyanic acid, octyl ester
  • Octane, 1-isocyanato-
  • 8-Isocyanatooctane
  • Octyl isocyanate,99%
CAS:
3158-26-7
MF:
C9H17NO
MW:
155.24
EINECS:
221-598-1
Product Categories:
  • Building Blocks
  • Chemical Synthesis
  • Isocyanates
  • Nitrogen Compounds
  • Nitrogen Compounds
  • Organic Building Blocks
  • Organic Building Blocks
Mol File:
3158-26-7.mol
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Octyl isocyanate Chemical Properties

Boiling point:
200-204 °C(lit.)
Density 
0.88 g/mL at 25 °C(lit.)
refractive index 
n20/D 1.432(lit.)
Flash point:
160 °F
form 
Liquid
Specific Gravity
0.88
color 
Turbid milky to light yellow
Water Solubility 
DECOMPOSES
Sensitive 
Moisture Sensitive
CAS DataBase Reference
3158-26-7(CAS DataBase Reference)
EPA Substance Registry System
Octane, 1-isocyanato- (3158-26-7)
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Safety Information

Hazard Codes 
Xn
Risk Statements 
22-36/37/38-42-20/21/22
Safety Statements 
23-26-36-45-37/39
RIDADR 
UN 2206 6.1/PG 3
WGK Germany 
3
TSCA 
Yes
HazardClass 
6.1
PackingGroup 
III
HS Code 
29291000

MSDS

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Octyl isocyanate Usage And Synthesis

Chemical Properties

turbid milky to light yellow liquid

Uses

Octyl isocyanate was used to suppress side reactions such as backbiting or chain transfer reaction during polymerization reactions. It was also used in the synthesis of:

  • low molar mass organogelator containing 2-(2′-hydroxyphenyl)benzoxazole (HPB) unit with long alkyl chain
  • N-octylurea
  • N-cyclopropyl-N′-octylurea

Synthesis Reference(s)

The Journal of Organic Chemistry, 60, p. 257, 1995 DOI: 10.1021/jo00106a044
Synthesis, p. 907, 1987

General Description

Octyl isocyanate was reported to inactivate serine proteinase, chymotrypsin.

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