Hexyl isocyanate
- CAS NO.：2525-62-4
- Empirical Formula: C7H13NO
- Molecular Weight: 127.18
- MDL number: MFCD00037047
- EINECS: 219-763-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-05-28 05:21:10
What is Hexyl isocyanate?
Chemical properties
colorless to slightly yellow liquid
The Uses of Hexyl isocyanate
Hexyl isocyanate may be employed for the synthesis of following:
- rigid-rod, helical isocyanate-based macromonomers
- rod-coil-rod triblock copolymers with 2-vinylpyridine, by living anionic polymerization
- chiral poly(n-hexyl isocyanate) (PHIC) macromonomers, by living anionic polymerization
Definition
ChEBI: An isocyanate in which a single isocyanato substituent is located at C-1 of a hexane molecule; found to be immunogenic in guinea pigs.
General Description
Hexyl isocyanate has been investigated for its antigenicity in the guinea pig animal model of hapten-specific respiratory hypersensitivity. Polymerization of n-hexyl isocyanate using rare earth tris(2,6-di-tert-butyl-4-methylphenolate) [Ln(OAr)3] as initiator has been studied.
Properties of Hexyl isocyanate
| Boiling point: | 162-164 °C (lit.) |
| Density | 0.873 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | 140 °F |
| form | Liquid |
| color | Colorless to slightly yellow |
| Specific Gravity | 0.878 |
| Water Solubility | DECOMPOSES |
| BRN | 1751836 |
| InChI | InChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3 |
| CAS DataBase Reference | 2525-62-4(CAS DataBase Reference) |
| EPA Substance Registry System | Hexane, 1-isocyanato- (2525-62-4) |
Safety information for Hexyl isocyanate
| Signal word | Danger |
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H226:Flammable liquids H317:Sensitisation, Skin H334:Sensitisation, respiratory |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
Computed Descriptors for Hexyl isocyanate
| InChIKey | ANJPRQPHZGHVQB-UHFFFAOYSA-N |
| SMILES | C(N=C=O)CCCCC |
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