3-Oxo-4-methylpentanenitrile
[CAS# 29509-06-6]

Identification

• Name: 3-Oxo-4-methylpentanenitrile
• Synonyms: 4-Methyl-3-oxopentanenitrile; Isobutyrylacetonitrile; Isopropyl cyanomethyl ketone
• Molecular Formula: C₆H₉NO
• Molecular Weight: 111.14
• CAS Registry Number: 29509-06-6
• EC Number: 825-792-2

Properties

• Solubility: Sparingly soluble (18 g/L) (25 ºC), Calc.^*
• Density: 0.938±0.06 g/cm³ (20 ºC 760 Torr), Calc.^*
• Melting point: 62-65 ºC^**
• Boiling point: 102-104 ºC^***
• Flash point: 50.6±19.8 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2016 ACD/Labs)

^** JP 59065089 A 1984.

^*** Kroeker, Edwin H.; Journal of the American Chemical Society 1934, V56, P1171-3.

Safety Data

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Acute toxicity	Acute Tox.	4	H302
Specific target organ toxicity - single exposure	STOT SE	3	H335
Skin irritation	Skin Irrit.	2	H315
Acute toxicity	Acute Tox.	4	H332
Eye irritation	Eye Irrit.	2A	H319
Acute toxicity	Acute Tox.	4	H312