Isobutyl isocyanate
[CAS# 1873-29-6]

Identification

• Classification: Flavors and spices >> Synthetic spice >> Carboxylic acid and ester perfume >> Aliphatic carboxylate
• Name: Isobutyl isocyanate
• Synonyms: 1-Isocyanato-2-methylpropane; 2-Methylpropyl isocyanat
• Molecular Formula: C₅H₉NO
• Molecular Weight: 99.13
• CAS Registry Number: 1873-29-6
• EC Number: 217-495-6

Properties

• Solubility: Slightly soluble (4.7 g/L) (25 °C), Calc.^*
• Density: 0.87±0.1 g/cm³ (20 °C 760 Torr), Calc.^*
• Boiling point: 106 °C^**
• Refractive index: 1.4195 (20 °C)^***
• Flash point: 17.1±13.6 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2017 ACD/Labs)

^** Schweitzer, Carl E.

^*** Orlov, G. I.

Safety Data

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Acute toxicity	Acute Tox.	3	H311
Flammable liquids	Flam. Liq.	2	H225
Acute toxicity	Acute Tox.	3	H301
Acute toxicity	Acute Tox.	3	H331
Eye irritation	Eye Irrit.	2	H319
Respiratory sensitization	Resp. Sens.	1	H334