3-Methyl-2-oxo-valeric Acid Ethyl Ester - CAS 26516-27-8
Catalog: |
BB059160 |
Product Name: |
3-Methyl-2-oxo-valeric Acid Ethyl Ester |
CAS: |
26516-27-8 |
Synonyms: |
Ethyl 3-Methyl-2-oxopentanoate |
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: | 43.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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