Methyl acetoacetate

Methyl acetoacetate Basic information

Product Name:	Methyl acetoacetate
Synonyms:	3-OXBUTANOIC ACID METHYL ESTER;3-OXOBUTANOIC ACID METHYL ESTER;3-OXOBUTYRIC ACID METHYL ESTER;ACETYL METHYL ACETATE;ACETOACETIC ACID METHYL ESTER;ACETOACETIC ESTER (METHYL);ACM;HYL ACETOACETATE
CAS:	105-45-3
MF:	C5H8O3
MW:	116.12
EINECS:	203-299-8
Product Categories:	Building Blocks;C2 to C5;Carbonyl Compounds;Chemical Synthesis;Esters;Organic Building Blocks;Organic synthesis;bc0001;105-45-3
Mol File:	105-45-3.mol

Methyl acetoacetate Chemical Properties

Melting point	-80 °C (lit.)
Boiling point	169-170 °C/70 mmHg (lit.)
density	1.076 g/mL at 25 °C (lit.)
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
PH	3.8 (863g/l, H2O, 20℃)
Odor	at 100.00 %. fresh fruity citrus green
Odor Type	fruity
explosive limit	1.3-14.2%(V)
Water Solubility	460 g/L (20 ºC)
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	Methyl acetoacetate (105-45-3)

Safety Information

Hazard Codes	Xi
Risk Statements	36
Safety Statements	26
WGK Germany	1
RTECS	AK5775000
Autoignition Temperature	536 °F
TSCA	Yes
HS Code	29183000
Hazardous Substances Data	105-45-3(Hazardous Substances Data)
Toxicity	LD50 orally in rats: 3.0 g/kg (Smyth, Carpenter)

MSDS Information

Provider	Language
MAA	English
SigmaAldrich	English
ACROS	English
ALFA	English

Methyl acetoacetate Usage And Synthesis

Chemical Properties	Colorless, clear liquid
Uses	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.
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.
Uses	Methyl acetoacetate is used as a chemical reagent used in the synthesis of pharmaceuticals. It participates in the Biginelli reaction, forming molecules including dihydropyrimidinones.Methyl acetoacetate (MAA) is used for the synthesis of alpha-substituted aceto- acetic esters and cyclic compounds, e.g. pyrazole, pyrimidine and coumarin derivatives.
Definition	ChEBI: Methylacetoacetic acid is an oxo carboxylic acid.
Production Methods	Methyl acetoacetate is produced by a reaction of methyl acetate with sodium methoxide.
General Description	A clear colorless liquid. Flash point 158°F. Denser than water and slightly soluble in water. Vapors heavier than air.
Air & Water Reactions	Very slightly soluble in water.
Reactivity Profile	Methyl acetoacetate 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
Hazard	Toxic by ingestion and inhalation.
Health Hazard	May be harmful by inhalation, ingestion, or skin absorption. Causes eye irritation. May cause skin irritation.
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.
Carcinogenicity	Not listed by ACGIH, IARC, NTP, or California Proposition 65.

Methyl acetoacetate Preparation Products And Raw materials

Raw materials

Methanol-->Ethyl acetoacetate-->Acetyl ketene-->METHANE

Preparation Products

4,6-Dimethylpyrimidine-5-carboxylic acid-->6-Methyluracil-->4-CHLORO-2-METHYLQUINOLINE-->Pirimiphos-methyl-->Fluvastatin sodium salt-->2-Acetylbutyrolactone-->Sethoxydim-->Diazinon-->Methyl 3-oxovalerate-->Isophytol-->LENAMPICILLIN-->DL-3-Hydroxybutyric acid sodium salt-->Nifedipine-->4-Hydroxy-2-methylquinoline-->5-Methyl-3-phenylisoxazole-4-carboxylic acid-->2-AMINO-3-CYANO-4-METHYL-5-CARBMETHOXY THIOPHENE-->5-AMINO-3-METHYL-THIOPHENE-2,4-DICARBOXYLIC ACID DIMETHYL ESTER-->MEVINPHOS-->Felodipine-->Nitrendipine-->2,2-DIMETHYLCYCLOPENTANONE-->D-(-)-A-4-HYDROXYPHENYLGLYCINE DANE SALT METHYL POTASSIUM-->Sodium 2-propylpentanoate

Ethyl acetoacetate tert-Butyl acetoacetate Methyl Ethyl 4,4,4-trifluoroacetoacetate Acetoxyacetic acid Methyl 4-chloro-3-oxo-butanoate Parathion-methyl ACETYLSALICYLIC ACID METHYL ESTER Methyl acetoacetate Kresoxim-methyl Thiophanate-methyl Pirimiphos-methyl 2-Acetylbutyrolactone ETHYL 4-METHYL-2-CYCLOHEXANONE-1-CARBOXYLATE Methyl salicylate Methyl acrylate Methyl bromide METSULFURON METHYL

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Methyl acetoacetate

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