4-Methyl-2-oxovaleric acid
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4-Methyl-2-oxovaleric acid
structure -
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CAS No:
816-66-0
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Formula:
C6H10O3
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Chemical Name:
4-Methyl-2-oxovaleric acid
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Synonyms:
Pentanoic acid,4-methyl-2-oxo-;Valeric acid,4-methyl-2-oxo-;4-Methyl-2-oxopentanoic acid;α-Ketoisocaproic acid;α-Oxoisocaproic acid;2-Oxoisocaproic acid;2-Oxoleucine;2-Oxo-4-methylvaleric acid;2-Ketoisocaproic acid;2-Oxo-4-methylpentanoic acid;4-Methyl-2-oxovaleric acid;4-Methyl-2-oxopentanoate;Ketoleucine;α-Ketoisocapronic acid;2-keto-4-Methylvaleric acid;Isobutylglyoxylic acid;Ketoisocaproic acid
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CAS No:
Description
4-Methyl-2-oxopentanoic acid, an abnormal metabolite, is both a neurotoxin and a metabotoxin.
Liquid|Pale yellow liquid; fruity aroma
4-methyl-2-oxopentanoic acid is a 2-oxo monocarboxylic acid that is pentanoic acid (valeric acid) substituted with a keto group at C-2 and a methyl group at C-4. A metabolite that has been found to accumulate in maple syrup urine disease. It has a role as a human metabolite and an algal metabolite. It derives from a valeric acid. It is a conjugate acid of a 4-methyl-2-oxopentanoate.
4-Methyl-2-oxovaleric acid Basic Attributes
130.14
130.14
212-435-5
4GUJ8AH400
DTXSID6061157
2918300090
Characteristics
54.4
0.9
Liquid
1.0312 g/cm3 @ Temp: 20 °C
6-9 °C
105-107 °C @ Press: 22 Torr
83.3±15.2 °C
1.438
Soluble in water.
Safety Information
Ⅲ
8
3265
3
8
S26-S36/37/39-S45
C:Corrosive;
P280-P305 + P351 + P338-P310
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 42 companies from 3 notifications to the ECHA C&L Inventory.
4-Methyl-2-oxovaleric acid Use and Manufacturing
Pentanoic acid, 4-methyl-2-oxo-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:130.14
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:130.062994177
Monoisotopic Mass:130.062994177
Topological Polar Surface Area:54.4
Heavy Atom Count:9
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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