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55107-14-7

Basic Information
CAS No.: 55107-14-7
Name: Pentanoic acid,4,4-dimethyl-3-oxo-, methyl ester
Article Data: 27
Cas Database
Molecular Structure:
Molecular Structure of 55107-14-7 (Pentanoic acid,4,4-dimethyl-3-oxo-, methyl ester)
Formula: C8H14O3
Molecular Weight: 158.197
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;
EINECS: 259-481-2
Density: 0.981 g/cm3
Melting Point: N/A
Boiling Point: 184 °C at 760 mmHg
Flash Point: 77.2 °C
Solubility: N/A
Appearance: Clear colorless to orange liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
Transport Information: N/A
PSA: 43.37000
LogP: 1.16470
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Chemistry

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

Safety Profile

Hazard Codes: IrritantXi
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

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 .