-
Name
Methyl diacetoacetate
- EINECS
- CAS No. 4619-66-3
- Article Data12
- CAS DataBase
- Density 1.112g/cm3
- Solubility
- Melting Point
- Formula C7H10O4
- Boiling Point 209°Cat760mmHg
- Molecular Weight 158.154
- Flash Point 82.4°C
- Transport Information
- Appearance
- Safety Moderately toxic by ingestion. A skin and severe eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Diacetessigsaeure-methylester;ACETOACETIC ACID,2-ACETYL-,METHYL ESTER;Methyl 2-acetylacetoacetate;2-Acetyl-3-oxo-buttersaeure-methylester;2-acetyl-3-oxo-butyric acid methyl ester;Methyl diacetoacetate;EINECS 225-031-9;diacetoacetic acid methyl ester;Methyl diacetylacetate;
- PSA 60.44000
- LogP 1.12390
Methyl diacetoacetate Chemical Properties
IUPAC Name: Methyl 2-acetyl-3-oxobutanoate
Synonyms of Methyl diacetoacetate (CAS NO.4619-66-3): Methyl 2-acetyl-3-oxobutanoate ; Methyl diacetylacetate ; Methylester kyseliny diacetoctove ; Acetoacetic acid, 2-acetyl-, methyl ester ; Butanoic acid, 2-acetyl-3-oxo-, methyl ester (9CI) ; Methyl 2-acetylacetoacetate
CAS NO: 4619-66-3
Molecular Formula: C7H10O4
Molecular Weight : 158.1519
Molecular Structure: .png)
EINECS: 225-031-9
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 60.44 Å2
Index of Refraction: 1.423
Molar Refractivity: 36.27 cm3
Molar Volume: 142.1 cm3
Surface Tension: 33.8 dyne/cm
Density: 1.112 g/cm3
Flash Point: 82.4 °C
Enthalpy of Vaporization: 44.52 kJ/mol
Boiling Point: 209 °C at 760 mmHg
Vapour Pressure: 0.208 mmHg at 25°C
Methyl diacetoacetate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 1700mg/kg (1700mg/kg) | Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948. |
Methyl diacetoacetate Safety Profile
Moderately toxic by ingestion. A skin and severe eye irritant. When Methyl diacetoacetate (CAS NO.4619-66-3) is heated to decomposition, it emits acrid smoke and irritating fumes. See also ESTERS.
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