ChemicalBook > CAS DataBase List > Methyl acetoacetate

Methyl acetoacetate

Product Name
Methyl acetoacetate
CAS No.
105-45-3
Chemical Name
Methyl acetoacetate
Synonyms
MAA;METHYL 3-OXOBUTANOATE;ACM;Methylacetoacetic acid;ACETOACETIC ACID METHYL ESTER;3-OXOBUTYRIC ACID METHYL ESTER;3,6&Acetoacetic ac;HYL ACETOACETATE;METHYL ACETOACETAT
CBNumber
CB5221273
Molecular Formula
C5H8O3
Formula Weight
116.12
MOL File
105-45-3.mol
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Methyl acetoacetate Property

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.)
Flash point:
158 °F
storage temp. 
2-8°C
solubility 
460 g/L (20°C)
pka
10.67±0.46(Predicted)
form 
Liquid
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)
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)
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Safety

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)
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H319Causes serious eye irritation

Precautionary statements

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
8.00107
Product name
Methyl acetoacetate
Purity
for synthesis
Packaging
1L
Price
$51.9
Updated
2024/03/01
Sigma-Aldrich
Product number
537365
Product name
Methyl acetoacetate
Purity
ReagentPlus , 99%
Packaging
1kg
Price
$64.5
Updated
2024/03/01
Sigma-Aldrich
Product number
14610
Product name
Methyl acetoacetate
Purity
analytical standard
Packaging
5ml
Price
$65.9
Updated
2022/05/15
Sigma-Aldrich
Product number
8.00107
Product name
Methyl acetoacetate
Purity
for synthesis
Packaging
100mL
Price
$22.66
Updated
2021/12/16
TCI Chemical
Product number
A0650
Product name
Methyl Acetoacetate
Purity
>99.0%(GC)
Packaging
25g
Price
$23
Updated
2024/03/01
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Methyl acetoacetate Chemical Properties,Usage,Production

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

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.

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) 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.

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

Ethyl acetoacetate Acetyl ketene Methanol METHANE

Preparation Products

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

Hebei Zhuanglai Chemical Trading Co.,Ltd
Product
Methyl acetoacetate 105-45-3
Price
US $10.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20ton
Release date
2024-05-06
Hebei Andu Technology Com.,Ltd
Product
Methyl acetoacetate 105-45-3
Price
US $1.60/kg
Min. Order
1kg
Purity
99%
Supply Ability
20tons
Release date
2024-10-28
WUHAN FORTUNA CHEMICAL CO., LTD
Product
Methyl acetoacetate 105-45-3
Price
US $0.00/KG
Min. Order
220KG
Purity
98%min
Supply Ability
30tons/month
Release date
2023-01-09

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