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759-05-7

759-05-7 Structure

759-05-7 Structure
IdentificationBack Directory
[Name]

3-METHYL-2-OXOBUTYRIC ACIDDISCONTINUED
[CAS]

759-05-7
[Synonyms]

2-oxoisovaleric acid
2-Ketoisovaleric acid
alpha-ketoisovalerate
a-Ketoisovaleric acid
ALPHA-KETOISOVALERICACID
3-methyl-2-oxo-butanoicaci
2-Oxo-3-methylbutyric acid
3 Methyl-2-oxobutanioc acid
2-Oxo-3-methylbutanoic acid
3-methyl-2-oxo-butanoic acid
Butanoic acid, 3-methyl-2-oxo-
alpha-keto-beta-Methylbutyric acid
3-METHYL-2-OXOBUTYRIC ACIDDISCONTINUED
[EINECS(EC#)]

212-065-4
[Molecular Formula]

C5H8O3
[MDL Number]

MFCD00040427
[MOL File]

759-05-7.mol
[Molecular Weight]

116.115
Chemical PropertiesBack Directory
[Melting point ]

31.5℃
[Boiling point ]

170.5℃
[density ]

0.9968
[FEMA ]

3869 | 3-METHYL-2-OXOBUTANOIC ACID
[refractive index ]

1.3850
[storage temp. ]

2-8°C
[solubility ]

Benzene (Slightly), Chloroform, Methanol (Slightly)
[form ]

Oil
[pka]

2.57±0.54(Predicted)
[color ]

Colourless
[Odor]

fruity
[Odor Type]

fruity
[Water Solubility ]

400.6g/L(20 ºC)
[JECFA Number]

631
[LogP]

-0.36
[CAS DataBase Reference]

759-05-7
[EPA Substance Registry System]

2-Ketoisovaleric acid (759-05-7)
Hazard InformationBack Directory
[Definition]

ChEBI: A 2-oxo monocarboxylic acid that is the 2-oxo derivative of isovaleric acid.
[Chemical Properties]

3-Methyl-2-oxobutanoic acid has a fruity aroma.
[Occurrence]

Reported found in banana, bread, blue and provolone cheeses, asparagus, beer and cocoa
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 28, p. 3088, 1963
Tetrahedron Letters, 19, p. 4809, 1978 DOI: 10.1016/S0040-4039(01)85738-5
[storage]

Store at -20°C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[TSCA ]

TSCA listed
[HS Code ]

2918300090
Spectrum DetailBack Directory
[Spectrum Detail]

3-METHYL-2-OXOBUTYRIC ACIDDISCONTINUED(759-05-7)MS
3-METHYL-2-OXOBUTYRIC ACIDDISCONTINUED(759-05-7)1HNMR
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