141-97-9
Product Name:
Ethyl acetoacetate
Formula:
C6H10O3
Synonyms:
Acetoacetic ester;EAA;EAA, Acetoacetic acid ethyl ester;Ethyl 3-oxobutanoate;Ethyl acetoacetate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Ethyl acetoacetate appears as a colorless liquid with a fruity odor. Flash point 185 °F. Boiling point 365 °F. May cause adverse health effects if ingested or inhaled. May irritate to skin, eyes and mucous membranes. Used in organic synthesis and in lacquers and paints. |
|---|---|
| Color/Form | COLORLESS LIQUID |
| Odor | PLEASANT GREEN, FRUITY, RUM ODOR |
| Taste | RIPE FRUIT TASTE |
| Boiling Point | 363 °F at 760 mmHg (USCG, 1999) |
| Melting Point | less than -112 °F (USCG, 1999) |
| Flash Point | 135 °F (USCG, 1999) |
| Solubility | SOL IN ABOUT 35 PARTS WATER |
| Density | 1.028 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Vapor Density | 4.48 |
| Vapor Pressure | 0.78 [mmHg] |
| LogP | log Kow = 0.25 |
| Autoignition Temperature | 563 °F (USCG, 1999) |
| Refractive Index | MAX ABSORPTION (ALCOHOL): 248 NM (LOG E= 3.2); INDEX OF REFRACTION: 1.4194 AT 20 °C/D; SADTLER REFERENCE NUMBER: 101 (IR, PRISM) |
| Kovats Retention Index | 903 910 907 907 |
| Other Experimental Properties | CONVERSION FACTOR: 5.31 MG/CU M IS EQUIVALENT TO 1 PPM |
| Chemical Classes | Other Classes -> Esters, Other |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H227:Flammable liquids H303:Acute toxicity,oral H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P337+P313:IF eye irritation persists: Get medical advice/attention. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 130.14 g/mol |
|---|---|
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 130.062994177 g/mol |
| Monoisotopic Mass | 130.062994177 g/mol |
| Topological Polar Surface Area | 43.4 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 118 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Ethyl acetoacetate appears as a colorless liquid with a fruity odor. Flash point 185 °F. Boiling point 365 °F. May cause adverse health effects if ingested or inhaled. May irritate to skin, eyes and mucous membranes. Used in organic synthesis and in lacquers and paints.
Description
Ethyl acetoacetate is an ethyl ester resulting from the formal condensation of the carboxy group of acetoacetic acid with ethanol. It has a role as a flavouring, antibacterial, and plant metabolite. It is functionally related to an acetoacetic acid.