3-Oxobutanoic acid benzyl ester
[CAS# 5396-89-4]

Identification

• Classification: Chemical reagent >> Organic reagent >> Ester >> Other ester compounds
• Name: 3-Oxobutanoic acid benzyl ester
• Synonyms: Benzyl acetylacetate; NSC 4391; Phenylmethyl 3-oxobutanoate
• Molecular Formula: C₁₁H₁₂O₃
• Molecular Weight: 192.21
• CAS Registry Number: 5396-89-4
• EC Number: 226-416-4

Properties

• Solubility: Slightly soluble (2.7 g/L) (25 ºC), Calc.^*
• Density: 1.115±0.06 g/cm³ (20 ºC 760 Torr), Calc.^*
• Boiling point: 273 ºC^**
• Flash point: 120.7±20.4 ºC, Calc.^*

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

^** More, D. H.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 2006, V45B(3), P823-825.

Safety Data

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Chronic hazardous to the aquatic environment	Aquatic Chronic	3	H412
Skin irritation	Skin Irrit.	2	H315
Eye irritation	Eye Irrit.	2	H319
Eye irritation	Eye Irrit.	2A	H319
Specific target organ toxicity - single exposure	STOT SE	3	H335