| Identification | More | [Name]
Octadecyl isocyanate | [CAS]
112-96-9 | [Synonyms]
1-isocyanato-octadecane
1-OCTADECYL ISOCYANATE
ISOCYANIC ACID N-OCTADECYL ESTER
ISOCYANIC ACID OCTADECYL ESTER
ISOCYANIC ACID STEARYL ESTER
N-OCTADECYL ISOCYANATE
OCTADECYL ISOCYANATE
STEARYL ISOCYANATE
STEARYLISOCYANATE 98
1-isocyanato-octadecan
75%
Baykanol OI
baykanoloi
Bykanol OI
millionateo
Mondur O
monduro
Octadecane,1-isocyanato-
odi
oi | [EINECS(EC#)]
204-019-7 | [Molecular Formula]
C19H37NO | [MDL Number]
MFCD00002041 | [Molecular Weight]
295.5 | [MOL File]
112-96-9.mol |
| Chemical Properties | Back Directory | [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 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]
112-96-9(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R43:May cause sensitization by skin contact. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 2206 6.1/PG 3
| [WGK Germany ]
1
| [RTECS ]
NR0140000
| [TSCA ]
Yes | [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 | [Safety Profile]
Poison by intravenous
route. A flammable liquid. When heated to
decomposition it emits toxic fumes of NOx.
See also ISOCYANATES. | [Toxicity]
LD50 intravenous in mouse: 100mg/kg |
| Hazard Information | Back Directory | [Chemical Properties]
It is a colorless, slightly turbid liquid at room temperature and is flammable. Its melting point is 21°C, boiling point is 170°C (266.7 Pa), relative density is 0.8625, and flash point is 184°C (open cup).
Preparation: Octadecylamine reacts with phosgene in chlorobenzene solvent to form octadecylamine chloride, which is then heated for decomposition and subjected to vacuum distillation. Raw material consumption: 1200 kg/t of octadecylamine, 1170 kg/t of phosgene, and 260 kg/t of chlorobenzene.
Uses: Primarily used as a synthetic raw material for printing and dyeing auxiliaries and the wool textile softener VS. It can also be used for surface treatment of waterproof fabrics.
| [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. |
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