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26516-27-8

26516-27-8 Structure

26516-27-8 Structure
IdentificationBack Directory
[Name]

pentanoic acid,3-methyl-2-oxo-,ethyl ester
[CAS]

26516-27-8
[Synonyms]

3-Methyl-2-oxo-valeric Acid Ethyl Ester
pentanoic acid,3-methyl-2-oxo-,ethyl ester
Pentanoic acid, 3-methyl-2-oxo-, ethyl ester
[Molecular Formula]

C8H14O3
[MDL Number]

MFCD24688425
[MOL File]

26516-27-8.mol
[Molecular Weight]

158.2
Chemical PropertiesBack Directory
[Boiling point ]

75-80 °C(Press: 12 Torr)
[density ]

0.979±0.06 g/cm3(Predicted)
[solubility ]

Dichloromethane; Diethyl ether
[form ]

Oil
[color ]

Pale yellow
[Odor]

Great for adding earthy notes typical of many tree nuts. Especially useful for enhancing flavors in maple and nutty applications. Recommended Flavor Use Level: 0.1 - 5.0 PPMnutty black walnut aroma, accompanied by woody nuances and a subtle herbaceousness
[Odor Type]

nutty
[JECFA Number]

2311
[InChI]

InChI=1S/C8H14O3/c1-4-6(3)7(9)8(10)11-5-2/h6H,4-5H2,1-3H3
[InChIKey]

HCDYSXWWIWPQEN-UHFFFAOYSA-N
[SMILES]

C(OCC)(=O)C(=O)C(C)CC
[LogP]

0.934
[EPA Substance Registry System]

Pentanoic acid, 3-methyl-2-oxo-, ethyl ester (26516-27-8)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H317
[Precautionary statements ]

P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
[TSCA ]

TSCA listed
Hazard InformationBack Directory
[Uses]

3-Methyl-2-oxo-valeric Acid Ethyl Ester is an intermediate in the synthesis of 3-Methyl-2-oxovaleric Acid Sodium Salt (M326420). It is an α-ketomonocarboxylic acid that triggers insulin release by acting upon receptor sites which differ from those occupied by amino acids. 4-Methyl-2-oxovaleric Acid is an analogue of Isoleucine.
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