CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Cyclohexyl isocyanate appears as a yellowish liquid with an irritating odor. Insoluble in water. Flash point 127 °F. Very toxic by inhalation, skin absorption and ingestion. Used to make pharmaceuticals and agricultural chemicals. |
|---|---|
| Color/Form | Oil |
| Boiling Point | 334 to 338 °F at 760 mmHg (NTP, 1992) |
| Melting Point | -112 °F (NTP, 1992) |
| Flash Point | 120 °F (NTP, 1992) |
| Solubility | Reacts with water (decomposes) (NTP, 1992) |
| Density | 0.98 (NTP, 1992) - Less dense than water; will float |
| Vapor Density | Relative vapor density (air = 1): 4.3 |
| Vapor Pressure | 2 mmHg at 77.4 °F (NTP, 1992) |
| Decomposition | When heated to decomposition it emits toxic fumes of /oxides of nitrogen/. |
| Refractive Index | Index of refraction = 1.4551 at 20 °C/D |
| Kovats Retention Index | 1216 |
| Other Experimental Properties | Colorless liquids or low-melting solids /Organic isocyanates/ |
| Chemical Classes | Toxic Gases & Vapors -> Monoisocyanates |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H317:Sensitisation, Skin H319:Serious eye damage/eye irritation H330:Acute toxicity,inhalation H334:Sensitisation, respiratory H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 125.17 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 125.084063974 g/mol |
| Monoisotopic Mass | 125.084063974 g/mol |
| Topological Polar Surface Area | 29.4 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 121 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Cyclohexyl isocyanate appears as a yellowish liquid with an irritating odor. Insoluble in water. Flash point 127 °F. Very toxic by inhalation, skin absorption and ingestion. Used to make pharmaceuticals and agricultural chemicals.