Ethyl acetoacetate CAS# 141-97-9
Agricultural Applications: Ethyl acetoacetate is vital in the synthesis of key pesticide intermediates, including insecticides and fungicides.
Versatility: It plays a significant role in producing herbicides, rodenticides, and plant growth regulators, making it crucial for multiple sectors.
Solubility: With high solubility (116 g/L at 20°C), it is effective in various formulations and chemical processes.
Stable and Combustible: The compound is stable under normal conditions but is combustible, making it versatile for industrial applications.
Ethyl acetoacetate is a key raw material in organic synthesis, playing a critical role in the production of various chemicals. In pesticide manufacturing, it serves as a precursor for several important intermediates, such as α-chloroethyl acetoacetate used in the synthesis of the organophosphorus insecticide coumaphos, and 2-methoxy-4-methyl-6-hydroxypyrimidine, an intermediate for the insecticide pyrimidinoxam. It is also used in the production of other insecticides like diazinon, pirimicarb, and fungicides such as oxazolidinone.
Additionally, Ethyl Acetoacetate is involved in the synthesis of herbicides, including imipenem, and rodenticides like coumarin and warfarin. The compound is also crucial for the production of new fungicides such as cyprodinil, difulmetorim, furammetpyr, and the plant growth regulator cintofen. Beyond agriculture, ethyl acetoacetate finds applications across various industries, including pharmaceuticals, plastics, dyes, fragrances, varnishes, and additives.
Parameters
Melting point | −43 °C(lit.) |
Boiling point | 181 °C(lit.) |
density | 1.029 g/mL at 20 °C(lit.) |
vapor density | 4.48 (vs air) |
vapor pressure | 1 mm Hg ( 28.5 °C) |
refractive index | n20/D 1.419 |
FEMA | 2415 | ETHYL ACETOACETATE |
Fp | 185 °F |
storage temp | Store below +30°C. |
solubility | 116 g/L (20°C) |
pka | 11(at 25℃) |
form | Liquid |
color | APHA: ≤15 |
Specific Gravity | 1.027～1.035 (20/4℃) |
Odor | Agreeable, fruity. |
PH | 4.0 (110g/l, H2O, 20℃) |
Relative polarity | 0.577 |
explosive limit | 1.0-54%(V) |
Odor Type | fruity |
biological source | synthetic |
Water Solubility | 116 g/L (20 ºC) |
JECFA Number | 595 |
Merck | 14,3758 |
BRN | 385838 |
Dielectric constant | 15.0（Ambient） |
Stability | Stable. Incompatible with acids, bases, oxidizing agents, reducing agents, alkali metals. Combustible. |
InChIKey | XYIBRDXRRQCHLP-UHFFFAOYSA-N |
LogP | 0.8 at 20℃ |
Surface tension | 31.93mN/m at 298.15K |
CAS DataBase Reference | 141-97-9(CAS DataBase Reference) |
NIST Chemistry Reference | Butanoic acid, 3-oxo-, ethyl ester(141-97-9) |
EPA Substance Registry System | Ethyl acetoacetate (141-97-9) |
Safety Information
Hazard Codes | Xi |
Risk Statements | 36 |
Safety Statements | 26-24/25 |
RIDADR | UN 1993 |
WGK Germany | 1 |
RTECS | AK5250000 |
Autoignition Temperature | 580 °F |
TSCA | Yes |
HazardClass | 3.2 |
PackingGroup | III |
HS Code | 29183000 |
Hazardous Substances Data | 141-97-9(Hazardous Substances Data) |
Toxicity | LD50 orally in rats: 3.98 g/kg (Smyth) |
