Octadecyl isocyanate

C19H37NOCAS 112-96-9295.51 g/mol

NO
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
Acute Toxic (GHS06)Irritant (GHS07)Health Hazard (GHS08)

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
112-96-9
SMILES
CCCCCCCCCCCCCCCCCCN=C=O
InChIKey
QWDQYHPOSSHSAW-UHFFFAOYSA-N
InChI
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

Weigh 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

Elsewhere