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
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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. |
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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 |
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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 |
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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.
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