3-Methyl-2-oxo-valeric Acid Ethyl Ester - CAS 26516-27-8

Name: 3-Methyl-2-oxo-valeric Acid Ethyl Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB059160
Product Name:	3-Methyl-2-oxo-valeric Acid Ethyl Ester
CAS:	26516-27-8
Synonyms:	Ethyl 3-Methyl-2-oxopentanoate

Technical Data

IUPAC Name:	ethyl 3-methyl-2-oxopentanoate
Description:	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.
Molecular Weight:	158.2
Molecular Formula:	C8H14O3
Canonical SMILES:	CCC(C)C(=O)C(=O)OCC
InChI:	InChI=1S/C8H14O3/c1-4-6(3)7(9)8(10)11-5-2/h6H,4-5H2,1-3H3
InChI Key:	HCDYSXWWIWPQEN-UHFFFAOYSA-N
Solubility:	Dichloromethane; Diethyl ether
Appearance:	Pale yellow oil
References:	Panten, U. et al. Naun.-Schmied. Arch. Pharmacol., 291, 405 (1975); Funk, M.A. et al. J. Nutrit., 117, 1550 (1987).

GHS Hazard Statement:	H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P321, P333+P313, P362+P364, and P501
Signal Word:	Warning

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Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.094294304
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	158.094294304
Rotatable Bond Count:	5
Topological Polar Surface Area:	43.4Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8