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| | Octadecyl isocyanate Basic information |
| | Octadecyl isocyanate Chemical Properties |
| Melting point | 19 °C | | Boiling point | 220 °C/20 mmHg | | density | 0.86 | | vapor pressure | 1 mm Hg ( 154 °C) | | refractive index | n 20/D 1.45 (lit.) | | Fp | 202 °C | | 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 | | InChI | 1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3 | | InChIKey | QWDQYHPOSSHSAW-UHFFFAOYSA-N | | SMILES | CCCCCCCCCCCCCCCCCCN=C=O | | 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) |
| 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 | TSCA listed | | HazardClass | 6.1(b) | | PackingGroup | III | | HS Code | 29291090 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3 | | Toxicity | LD50 intravenous in mouse: 100mg/kg |
| | Octadecyl isocyanate Usage And Synthesis |
| Chemical Properties | Colorless and slightly turbid liquid at room temperature, flammable. Melting point 21℃, boiling point 170℃(266.7Pa), relative density 0.8625, flash point 184℃(open cup). Preparation method: octadecylamine in chlorobenzene solvent and phosgene reaction to generate octadecylamine chloride, and then heated decomposition, distillation under reduced pressure and obtained. Raw material consumption quota: octadecylamine 1200kg/t, phosgene 1170kg/t, chlorobenzene 260kg/t. Usage: Mainly used as printing and dyeing auxiliaries, woolen textile softener VS synthetic raw materials, but also can be used for waterproof fabric surface treatment. | | 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 Preparation Products And Raw materials |
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