| Identification | More | [Name]
Methyl acetoacetate | [CAS]
105-45-3 | [Synonyms]
3-OXBUTANOIC ACID METHYL ESTER
3-OXOBUTANOIC ACID METHYL ESTER
3-OXOBUTYRIC ACID METHYL ESTER
ACETOACETIC ACID METHYL ESTER
ACETOACETIC ESTER (METHYL)
ACETYL METHYL ACETATE
ACM
MAA
METHYL 3-OXOBUTANOATE
METHYL 3-OXOBUTYRATE
METHYL 4-OXOBUTANOATE
METHYL ACETOACETATE
METHYL ACETOACETOACETATE
Methyl acetyl acetate
1-methoxybutane-1,3-dione
3-oxo-butanoicacimethylester
Acetoacetic methyl ester
acetoaceticmethylester
Butanoicacid,3-oxo-,methylester
Methyl acetylacetonate | [EINECS(EC#)]
203-299-8 | [Molecular Formula]
C5H8O3 | [MDL Number]
MFCD00008784 | [Molecular Weight]
116.12 | [MOL File]
105-45-3.mol |
| Chemical Properties | Back Directory | [Appearance]
Colorless, clear liquid | [Melting point ]
-80 °C (lit.) | [Boiling point ]
169-170 °C/70 mmHg (lit.) | [density ]
1.077 | [vapor density ]
4 (vs air)
| [vapor pressure ]
1 hPa (20 °C) | [refractive index ]
n20/D 1.419(lit.)
| [Fp ]
158 °F
| [storage temp. ]
2-8°C | [solubility ]
460 g/L (20°C) | [form ]
Liquid | [pka]
10.67±0.46(Predicted) | [color ]
APHA: ≤20 | [Odor]
at 100.00 %. fresh fruity citrus green | [PH]
3.8 (863g/l, H2O, 20℃) | [explosive limit]
1.3-14.2%(V) | [Odor Type]
fruity | [Water Solubility ]
460 g/L (20 ºC) | [Usage]
Methyl acetoacetate (MAA) is a starting material for the syntheses of alpha-substituted aceto-acetic esters and cyclic compounds, e.g. pyrazole, pyrimidine and coumarin derivatives. | [Merck ]
14,6009 | [BRN ]
506727 | [InChIKey]
WRQNANDWMGAFTP-UHFFFAOYSA-N | [LogP]
0.185 (est) | [CAS DataBase Reference]
105-45-3(CAS DataBase Reference) | [NIST Chemistry Reference]
Butanoic acid, 3-oxo-, methyl ester(105-45-3) | [EPA Substance Registry System]
105-45-3(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36:Irritating to the eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
1
| [RTECS ]
AK5775000
| [Autoignition Temperature]
536 °F | [TSCA ]
Yes | [HS Code ]
29183000 | [Safety Profile]
Moderately toxic by
ingestion. A skin and severe eye irritant.
Combustible when exposed to heat or
flame. To fight fire, use foam, CO2, dry
chemical. When heated to decomposition it
emits acrid smoke and irritating fumes. See
also ESTERS. | [Hazardous Substances Data]
105-45-3(Hazardous Substances Data) | [Toxicity]
LD50 orally in rats: 3.0 g/kg (Smyth, Carpenter) |
| Hazard Information | Back Directory | [General Description]
A clear colorless liquid. Flash point 158°F. Denser than water and slightly soluble in water. Vapors heavier than air. | [Reactivity Profile]
METHYL ACETOACETATE(105-45-3) is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides | [Air & Water Reactions]
Very slightly soluble in water. | [Hazard]
Toxic by ingestion and inhalation. | [Health Hazard]
May be harmful by inhalation, ingestion, or skin absorption. Causes eye irritation. May cause skin irritation. | [Chemical Properties]
Colorless, clear liquid | [Uses]
Methyl acetoacetate (MAA,105-45-3) is a starting material for the syntheses of alpha-substituted aceto- acetic esters and cyclic compounds, e.g. pyrazole, pyrimidine and coumarin derivatives.
| [Uses]
3-Oxobutanoic Acid Methyl Ester is a chemical reagent used in the synthesis of pharmaceuticals. It participates in the Biginelli reaction, forming molecules including dihydropyrimidinones. | [Application]
Methyl acetoacetate (MAA,105-45-3) has been used for the following applications:
As a chemical reagent for organic synthesis and as a solvent for cellulose ethers;
As a chemical intermediate for organic compounds, used for the synthesis of nifedipine;
As a food additive, used as an amine protectant for synthetic sweeteners;
As a pharmaceutical raw material, used in the manufacture of antibiotics.
| [Definition]
ChEBI: Methylacetoacetic acid is an oxo carboxylic acid. | [Production Methods]
Methyl acetoacetate is produced by a reaction of methyl
acetate with sodium methoxide. | [Carcinogenicity]
Not listed by ACGIH, IARC,
NTP, or California Proposition 65. |
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