759-05-7

759-05-7 structure

Name: α-Ketoisovaleric acid
Chemical Name: 3-methyl-2-oxobutanoic acid
CAS Number: 759-05-7
Molecular Formula: C₅H₈O₃
Molecular Weight: 116.115
Catalog: Research Areas Others
Create Date: 2018-05-11 08:00:00
Modify Date: 2024-01-02 14:50:18
3-Methyl-2-oxobutanoic acid is a precursor of pantothenic acid in Escherichia coli.

Name	3-methyl-2-oxobutanoic acid
Synonyms	a-keto-Isovaleric acid Dimethylpyruvic acid α-Oxo-β-methylbutyric acid Butanoic acid, 3-methyl-2-oxo- 2-Ketoisovaleric acid KETOVALINE 2-Oxo-3-methylbutyric acid 3-Methyl-2-oxo-butanoic Acid Isopropylglyoxylic acid a-Oxo-b-methylbutyric acid a-keto-b-Methylbutyric acid α-keto-β-Methylbutyric acid a-Oxoisovaleric acid 3-methyl-2-oxo-Butyric acid α-Oxoisovaleric acid 2-Oxo-3-methylbutanoic acid 3-Methyl-2-oxobutanoic acid

Description	3-Methyl-2-oxobutanoic acid is a precursor of pantothenic acid in Escherichia coli.
Related Catalog	Natural Products >> Acids and Aldehydes Research Areas >> Others
Target	Human Endogenous Metabolite
In Vitro	3-Methyl-2-oxobutanoic acid (alpha-Ketoisovaleric acid) is a precursor of pantothenic acid in Escherichia coli[1]. 3-Methyl-2-oxobutanoic acid (alpha-Ketoisovaleric acid) enhances alpha-ketoisocaproic acid and alpha-keto-beta-methyl-n-valeric acid, but diminishes the corresponding amino acids, and causes an early decline of ornithine along with a late augmentation of plasma arginine[2].
In Vivo	3-Methyl-2-oxobutanoic acid (alpha-Ketoisovaleric acid) induces convulsions through GABAergic and glutamatergic mechanisms in rats[3].
References	[1]. MAAS WK, et al. alpha-Ketoisovaleric acid, a precursor of pantothenic acid in Escherichia coli. J Bacteriol. 1953 Apr;65(4):388-93. [2]. Schauder P, et al. Oral administration of alpha-ketoisovaleric acid or valine in humans: blood kinetics and biochemical effects. J Lab Clin Med. 1984 Apr;103(4):597-605. [3]. Coitinho AS, et al. Pharmacological evidence that alpha-ketoisovaleric acid induces convulsions through GABAergic and glutamatergic mechanisms in rats. Brain Res. 2001 Mar 9;894(1):68-73.

Density	1.1±0.1 g/cm3
Boiling Point	170.2±9.0 °C at 760 mmHg
Molecular Formula	C₅H₈O₃
Molecular Weight	116.115
Flash Point	71.0±15.2 °C
Exact Mass	116.047340
PSA	54.37000
LogP	-0.36
Vapour Pressure	0.7±0.7 mmHg at 25°C
Index of Refraction	1.432
Storage condition	2-8°C

Material Safety Data Sheet

Section1. Identiﬁcation of the substance
Product Name: 3-Methyl-2-oxo-butanoic acid
Synonyms:

Section2. Hazards identiﬁcation
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:3-Methyl-2-oxo-butanoic acid
CAS number:759-05-7

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
ﬂushing of the eyes by separating the eyelids with ﬁngers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire ﬁghting measures
In the event of a ﬁre involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualiﬁed
in the handling and use of potentially hazardous chemicals, who should take into account the ﬁre,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not speciﬁed
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C5H8O3
Molecular weight:116.1

Section10. Stability and reactivity
Conditions to avoid: Heat, ﬂames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

Hazard Codes	Xi
HS Code	2918300090

Precursor 7
20201-24-5 328-50-7 640-68-6 7682-64-6
152343-05-0 3715-29-5 152343-07-2
DownStream 10
3952-67-8 4026-18-0 516-06-3 640-68-6
127-17-3 72-18-4 24347-63-5 328-39-2
17407-55-5 17407-56-6

HS Code	2918300090
Summary	2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

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