Octadecyl isocyanate

Octadecyl isocyanate Basic information
Product Name:Octadecyl isocyanate
Synonyms:1-isocyanato-octadecan;Tonco-70;ISOCYANIC ACID OCTADECYL ESTER;ISOCYANIC ACID STEARYL ESTER;1-OCTADECYL ISOCYANATE;1-isocyanato-octadecane;STEARYL ISOCYANATE;STEARYLISOCYANATE 98
CAS:112-96-9
MF:C19H37NO
MW:295.5
EINECS:204-019-7
Product Categories:Building Blocks;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks;Wool softener, polyurethane additives;organic chemical;Isocyanates;Nitrogen Compounds;Organic Building Blocks;Intermediates of Dyes and Pigments
Mol File:112-96-9.mol
Octadecyl isocyanate Structure
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.)
Fp 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 Gravity0.86
Sensitive Moisture Sensitive
InChIKeyQWDQYHPOSSHSAW-UHFFFAOYSA-N
CAS DataBase Reference112-96-9(CAS DataBase Reference)
NIST Chemistry ReferenceOctadecane, 1-isocyanato-(112-96-9)
EPA Substance Registry SystemOctadecane, 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
ToxicityLD50 intravenous in mouse: 100mg/kg
MSDS Information
ProviderLanguage
Octadecyl isocyanate English
SigmaAldrich English
ALFA English
Octadecyl isocyanate Usage And Synthesis
UsesOctadecyl 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.
UsesOctadecyl 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)
UsesOctadecyl 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.
Safety ProfilePoison by intravenous route. A flammable liquid. When heated to decomposition it emits toxic fumes of NOx. See also ISOCYANATES.
Octadecyl isocyanate Preparation Products And Raw materials
Raw materialsOctadecanamine-->softener VS-->NONADECANOIC ACID-->Carbon disulfide-->OCTADECYLAMINE HYDROCHLORIDE-->Triphosgene-->Toluene-->Octadecanamide-->Diphosgene-->PHOSGENE
Preparation ProductsN-N-OCTADECYLUREA
Octadecyl isothiocyanate ISOCYANIC ACID N-HEPTYL ISOCYANATE BENZOYL ISOCYANATE ISOTHIOCYANATE, POLYMER-BOUND, 200-400 1-AMINONONANE Pentyl isocyanate 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentylcyclohexane 1-Tetradecylamine Octadecyl isocyanate N-UNDECYLAMINE ISOCYANATE UNDECYL ISOCYANATE 1-AMINOPENTADECANE 1-AMINOHEPTANE Polyethylenimine, reaction product with octadecyl isocyanate,Polyethylenimine,reaction product with octadecyl isocyanate Octadecanamine Hexyl isocyanate

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