105-45-3
Product Name:
Methyl acetoacetate
Formula:
C5H8O3
Synonyms:
3-Oxobutanoic acid methyl ester;Acetoacetic acid methyl ester;MAA;Methyl 3-oxobutanoate, Methyl 3-oxobutyrate, Acetoacetic acid methyl ester;Methyl acetoacetate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Methyl acetoacetate appears as a clear colorless liquid. Flash point 158 °F. Denser than water and slightly soluble in water. Vapors heavier than air. |
|---|---|
| Color/Form | Colorless liquid |
| Odor | Agreeable odor |
| Boiling Point | 336 to 338 °F at 760 mmHg (USCG, 1999) |
| Melting Point | -112 °F (USCG, 1999) |
| Flash Point | 158 °F (USCG, 1999) |
| Solubility | Soluble in 2 parts water; miscible with alcohol and ether |
| Density | 1.076 (USCG, 1999) - Denser than water; will sink |
| Vapor Density | 4.0 (Air= 1) |
| Vapor Pressure | 0.89 [mmHg] |
| LogP | log Kow = -0.69 /Estimated/ |
| Henry's Law Constant | Henry's Law constant: 2.7X10-7 atm-cu m/mole at 25 °C /Estimated |
| Stability/Shelf Life | MAA and EAA are stable liquids |
| Autoignition Temperature | 536 °F (USCG, 1999) |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes |
| Viscosity | 1.704 cPa at 20 °C |
| Refractive Index | Index of refraction: 1.4184 at 20 °C/D |
| Kovats Retention Index | 1396 |
| Other Experimental Properties | Conversion factor (wt/vol): 1 ppm = 4.74 mg/cu m |
| Chemical Classes | Solvents -> Esters (<C12) |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 116.11 g/mol |
|---|---|
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 116.047344113 g/mol |
| Monoisotopic Mass | 116.047344113 g/mol |
| Topological Polar Surface Area | 43.4 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 106 |
| 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
Methyl acetoacetate appears as a clear colorless liquid. Flash point 158 °F. Denser than water and slightly soluble in water. Vapors heavier than air.