Octyl isocyanate
Properties
- Molecular formula
- C9H17NO
- Molar mass
- 155.24 g/mol
- Exact mass
- 155.1310 Da
- Boiling point
- 94–95 °C (at 18 Torr)
- logP
- 2.68Crippen estimate
- Polar surface area
- 29.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 7
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled10.9% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501
Identifiers
CAS number
3158-26-7SMILES
CCCCCCCCN=C=OInChIKey
DYQFCTCUULUMTQ-UHFFFAOYSA-NInChI
InChI=1S/C9H17NO/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Octane, 1-isocyanato-
- Isocyanic acid, octyl ester
- 1-Isocyanatooctane
- n-Octyl isocyanate
- 1-Octyl isocyanate
Work with Octyl isocyanate
Similar compounds
Octadecyl isocyanate112-96-9100 % similar
Undecyl isocyanate2411-58-7100 % similar
Hexyl isocyanate2525-62-4100 % 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.