Octadecyl isocyanate Chemical Properties

Melting point:

15-16 °C (lit.)

Boiling point:

172-173 °C/5 mmHg (lit.)

Density 

0.847 g/mL at 25 °C (lit.)

vapor pressure 

1 mm Hg ( 154 °C)

refractive index 

n20/D 1.45(lit.)

Flash point:

365 °F

storage temp. 

2-8°C

solubility 

soluble in Benzene,Toluene

form 

powder to lump to clear liquid

color 

White or Colorless to Almost white or Almost colorless

Specific Gravity

0.86

Sensitive 

Moisture Sensitive

InChIKey

QWDQYHPOSSHSAW-UHFFFAOYSA-N

CAS DataBase Reference

112-96-9(CAS DataBase Reference)

NIST Chemistry Reference

Octadecane, 1-isocyanato-(112-96-9)

EPA Substance Registry System

Octadecane, 1-isocyanato- (112-96-9)

Safety Information

Hazard Codes 

Xn

Risk Statements 

20/21/22-36/37/38-43

Safety Statements 

26-36/37-45

RIDADR 

UN 2206 6.1/PG 3

WGK Germany 

1

RTECS 

NR0140000

TSCA 

Yes

HazardClass 

6.1(b)

PackingGroup 

III

HS Code 

29291090

Toxicity

LD50 intravenous in mouse: 100mg/kg

MSDS

• Language:English Provider:Octadecyl isocyanate
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

Octadecyl isocyanate Usage And Synthesis

Uses

Octadecyl Isocyanate is a useful reagent for the surface modification of poly(Me methacrylate) (PMMA) to form PMMA surfaces terminated with well-ordered and highly crystalline octadecane chains.

Uses

Octadecyl isocyanate can be used as a modifier:

• For cellulose nanocrystals in the synthesis of poly(butylene adipate-co-terephthalate) (PBAT) based nanocomposites with improved mechanical and rheological properties.
• For lignin to effectively incorporate the lignin fillers in polyurethane matrix to prepare composites.

It can be reacted with various amines to synthesize variety of unsymmetrical urea derivatives.

Uses

Octadecyl isocyanate (n-octadecyl isocyanate) was employed for chemical modification of:

• surface of cellulose nanocrystals to promote interfacial filler/matrix interactions
• poly (2-hydroxyethyl methacrylate) (pHEMA) films, to investigate in vitro hemocompatibility assay using freshly drawn human whole blood
• cellulose nanocrystals (or whiskers) and microfibrillated cellulose (MFC)

Safety Profile

Poison by intravenous route. A flammable liquid. When heated to decomposition it emits toxic fumes of NOx. See also ISOCYANATES.

Octadecyl isocyanate(112-96-9)Related Product Information

• ISOCYANIC ACID
• Isocyanatocyclohexane
• Octadecane
• Ethyl isocyanate
• Octadecanamine
• Butyl isocyanate
• Phenyl isothiocyanate
• BENZOYL ISOCYANATE
• Benzyl isocyanate
• Hexyl isocyanate
• 1-Octadecanol
• Propyl isocyanate
• Octadecyl isothiocyanate
• TETRADECYL ISOCYANATE
• Isosorbide
• Isopropyl isocyanate
• TERT-BUTYL ISOCYANIDE
• 2-BROMOPHENYL ISOCYANATE