Octadecyl isocyanate
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Octadecyl isocyanate
structure -
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CAS No:
112-96-9
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Formula:
C19H37NO
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Chemical Name:
Octadecyl isocyanate
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Synonyms:
Octadecane,1-isocyanato-;Isocyanic acid,octadecyl ester;1-Isocyanatooctadecane;Stearyl isocyanate;Octadecyl isocyanate;Mondur O;Baykanol OI;n-Octadecyl isocyanate;1-Octadecyl isocyanate;Millionate O;NSC 66466;ODI;156520-08-0
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CAS No:
Characteristics
29.4
9.86
Liquid
0.9±0.1 g/cm3
15-16 °C
190-210 °C @ Press: 10 Torr
365 °F
1.465
2-8°C
1 mm Hg ( 154 °C)
Intravenous-Mouse LD50: 100 mg/kg
Open flame is flammable; burning releases toxic nitrogen oxide fumes
Safety Information
III
6.1(b)
UN 2206 6.1/PG 3
1
20/21/22-36/37/38-43
26-36/37-45
NR0140000
Xn
The warehouse is ventilated at low temperature and dry; stored separately from oxidants, acids and food additives
P261-P280-P305 + P351 + P338-P342 + P311
H302 + H312 + H332-H315-H319-H334-H335
|Danger|H302 (27.74%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 137 companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Octadecyl isocyanate Use and Manufacturing
It is obtained from the reaction of octadecylamine with phosgene in chlorobenzene solvent to generate octadecylamine acid chloride, which is then decomposed by heating and rectified under reduced pressure. Raw material consumption quota: octadecylamine 1200kg/t, phosgene 1170kg/t, chlorobenzene 260kg/t. Uses: Mainly used as a synthetic raw material for printing and dyeing auxiliaries and wool textile softener VS. It can also be used for surface treatment of waterproof fabrics.
Used as raw material for wool textile softener VS
Adhesives and sealants
Octadecane, 1-isocyanato-: ACTIVE
Computed Properties
Molecular Weight:295.5
XLogP3:9.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:17
Exact Mass:295.287514804
Monoisotopic Mass:295.287514804
Topological Polar Surface Area:29.4
Heavy Atom Count:21
Complexity:234
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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