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Cas Database |
| Name |
Methyl pivaloylacetate |
EINECS | 259-481-2 |
| CAS No. | 55107-14-7 | Density | 0.981 g/cm3 |
| PSA | 43.37000 | LogP | 1.16470 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H14O3 | Boiling Point | 184 °C at 760 mmHg |
| Molecular Weight | 158.197 | Flash Point | 77.2 °C |
| Transport Information | N/A | Appearance | Clear colorless to orange liquid |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
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| Synonyms |
1-Methoxy-4,4-dimethyl-1,3-dioxopentane;4,4-Dimethyl-3-oxopentanoic acid methyl ester;4,4-Dimethyl-3-oxovaleric acidmethyl ester;Methyl 3-oxo-4,4-dimethylpentanoate;Methyl4,4-dimethyl-3-oxopentanoate;Methyl 4,4-dimethyl-3-oxovalerate;Methylpivaloylacetate;Methyl tert-butylcarbonylacetate;NSC 246205;Pivaloylaceticacid methyl ester; |
Article Data | 27 |
Methyl pivaloylacetate Chemical Properties
IUPAC Name: Methyl 4,4-dimethyl-3-oxopentanoate
Following is the structure of Pentanoic acid,4,4-dimethyl-3-oxo-, methyl ester (CAS NO.55107-14-7):
Empirical Formula: C8H14O3
Molecular Weight: 158.195
EINECS: 259-481-2
Index of Refraction: 1.42
Molar Refractivity: 40.88 cm3
Molar Volume: 161.2 cm3
Density: 0.981 g/cm3
Flash Point: 77.2 °C
Surface Tension: 29.3 dyne/cm
Enthalpy of Vaporization: 42.02 kJ/mol
Boiling Point: 184 °C at 760 mmHg
Vapour Pressure: 0.749 mmHg at 25 °C
Appearance of Pentanoic acid,4,4-dimethyl-3-oxo-, methyl ester (CAS NO.55107-14-7): Clear colorless to orange liquid
Product Categories of Pentanoic acid,4,4-dimethyl-3-oxo-, methyl ester (CAS NO.55107-14-7): BUILDING BLOCKS; API intermediates
Canonical SMILES: CC(C)(C)C(=O)CC(=O)OC
InChI: InChI=1S/C8H14O3/c1-8(2,3)6(9)5-7(10)11-4/h5H2,1-4H3
InChIKey: XTXCFTMJPRXBBC-UHFFFAOYSA-N
Methyl pivaloylacetate Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3
Methyl pivaloylacetate Specification
Pentanoic acid,4,4-dimethyl-3-oxo-, methyl ester , its cas register number is 55107-14-7. It also can be called Methyl 4,4-dimethyl-3-oxovalerate ; and Methyl pivaloylacetate .
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