Hexyl isocyanate Property

Boiling point:

162-164 °C (lit.)

Density 

0.873 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.421(lit.)

Flash point:

140 °F

form 

Liquid

Specific Gravity

0.878

color 

Colorless to slightly yellow

Water Solubility 

DECOMPOSES

BRN 

1751836

InChI

InChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3

InChIKey

ANJPRQPHZGHVQB-UHFFFAOYSA-N

SMILES

C(N=C=O)CCCCC

CAS DataBase Reference

2525-62-4(CAS DataBase Reference)

EPA Substance Registry System

Hexane, 1-isocyanato- (2525-62-4)

Safety

Hazard Codes 

Xn,Xi

Risk Statements 

10-20/21/22-42-36/37/38

Safety Statements 

23-36/37-37/39-26

RIDADR 

UN 3080 6.1/PG 2

WGK Germany 

3

F 

10-19-21

HazardClass 

6.1(a)

PackingGroup 

II

HS Code 

29291090

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H226Flammable liquid and vapour

H317May cause an allergic skin reaction

H334May cause allergy or asthma symptoms or breathing difficulties if inhaled

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

Hexyl isocyanate Chemical Properties,Usage,Production

Chemical Properties

colorless to slightly yellow liquid

Uses

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.