TERT-OCTYL ISOCYANATE Chemical Properties

Boiling point:

170-172 °C(lit.)

Density 

0.859 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.426(lit.)

Flash point:

118 °F

storage temp. 

2-8°C

form 

liquid

Sensitive 

Moisture Sensitive

InChI

1S/C9H17NO/c1-8(2,3)6-9(4,5)10-7-11/h6H2,1-5H3

InChIKey

XOHBENIMDRFUIH-UHFFFAOYSA-N

SMILES

CC(C)(C)CC(C)(C)N=C=O

CAS DataBase Reference

1611-57-0

Safety Information

Hazard Codes 

Xn

Risk Statements 

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

Safety Statements 

16-23-26-36/37/39

RIDADR 

UN 3080 6.1/PG 2

WGK Germany 

3

HazardClass 

6.1

PackingGroup 

II

Storage Class

3 - Flammable liquids

Hazard Classifications

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 3
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

TERT-OCTYL ISOCYANATE Usage And Synthesis

Uses

1,1,3,3-Tetramethylbutyl isocyanate may be used in the synthesis of amides by Grignard reaction.

Synthesis Reference(s)

Journal of the American Chemical Society, 78, p. 4538, 1956 DOI: 10.1021/ja01599a008

General Description

1,1,3,3-Tetramethylbutyl isocyanate is a sterically hindered isocyanate. Its synthesis from tert-octylamine has been reported.

TERT-OCTYL ISOCYANATE(1611-57-0)Related Product Information

• Octyl isocyanate
• Pentyl isocyanate
• tert-Butylisocyanate
• Propyl isocyanate
• Butyl isocyanate
• 1-METHYLINDOLE-2-CARBOXALDEHYDE 97
• Isopropyl isocyanate
• TERT-OCTYL ISOCYANATE