2-Methyl-4,6-heptanedione
[CAS# 3002-23-1]

Identification

• Name: 2-Methyl-4,6-heptanedione
• Synonyms: 6-Methyl-2,4-heptanedione; Isovalerylacetone; NSC 42238; NSC 42240; NSC 46469; NSC 94
• Molecular Formula: C₈H₁₄O₂
• Molecular Weight: 142.20
• CAS Registry Number: 3002-23-1
• EC Number: 221-093-6

Properties

• Solubility: Slightly soluble (7.7 g/L) (25 ºC), Calc.^*
• Density: 0.916±0.06 g/cm³ (20 ºC 760 Torr), Calc.^*
• Boiling point: 197 ºC^**
• Refractive index: 1.4375 (589.3 nm 20 ºC)^***
• Flash point: 69.6±16.8 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2014 ACD/Labs)

^** Mijin, Dusan Z.; Journal of the Serbian Chemical Society 2004, V69(10), P759-767.

^*** Yur'ev, Yu. K.; Zhurnal Obshchei Khimii 1959, V29, P1458-63.

Safety Data

• Hazard Symbols: Xi
• Risk Codes: R36/37/38
• Safety Description: S26;S36

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Eye irritation	Eye Irrit.	2	H319
Skin irritation	Skin Irrit.	2	H315
Specific target organ toxicity - single exposure	STOT SE	3	H335
Flammable liquids	Flam. Liq.	3	H226

• Transport Information: UN 1993C 3 / PGIII