Octadecyl isocyanate
Properties
- Molecular formula
- C19H37NO
- Molar mass
- 295.51 g/mol
- Exact mass
- 295.2875 Da
- Melting point
- 15–16 °C
- Boiling point
- 190–210 °C (at 10 Torr)
- logP
- 6.58Crippen estimate
- Polar surface area
- 29.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 17
Hazards
Danger
- H302 Harmful if swallowed29.2% of notifiers
- H312 Harmful in contact with skin29.2% of notifiers
- H315 Causes skin irritation98.6% of notifiers
- H317 May cause an allergic skin reaction20.1% of notifiers
- H319 Causes serious eye irritation98.6% of notifiers
- H331 Toxic if inhaled62.5% of notifiers
- H332 Harmful if inhaled29.2% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled96.5% of notifiers
- H335 May cause respiratory irritation59% of notifiers
Aggregated from 144 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501
Identifiers
CAS number
112-96-9SMILES
CCCCCCCCCCCCCCCCCCN=C=OInChIKey
QWDQYHPOSSHSAW-UHFFFAOYSA-NInChI
InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- Baykanol OI
- Mondur O
- n-Octadecyl isocyanate
- 1-Octadecyl isocyanate
- Millionate O
- NSC 66466
- ODI
- Octadecane, 1-isocyanato-
- Isocyanic acid, octadecyl ester
- 1-Isocyanatooctadecane
- Stearyl isocyanate
Work with Octadecyl isocyanate
Similar compounds
Undecyl isocyanate2411-58-7100 % similar
Hexyl isocyanate2525-62-4100 % similar
Octyl isocyanate3158-26-7100 % similar
Dodecyl isocyanate4202-38-4100 % similar
N-Heptyl isocyanate4747-81-3100 % similar
Pentyl isocyanate3954-13-095 % similar
Butyl isocyanate111-36-482 % similar
Hexamethylene diisocyanate822-06-071 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.