ChemicalBook--->CAS DataBase List--->815-17-8

815-17-8

815-17-8 Structure

815-17-8 Structure
IdentificationMore
[Name]

3,3-Dimethyl-2-oxobutyric acid
[CAS]

815-17-8
[Synonyms]

3,3-DIMETHYL-2-OXO-BUTANOIC ACID
RARECHEM AL BO 2323
TRIMETHYLPYRUVIC ACID
3,3-dimethyl-2-oxo-butanoicaci
3,3-Dimethyl-2-oxobutyric acid
3,3-dimethyl-2-oxo-butyricaci
3,3-dimethyl-2-oxobutyricacid
Butyric acid, 3,3-dimethyl-2-oxo-
Glyoxylic acid, tert-butyl-
Pyruvic acid, trimethyl-
tert-butylglyoxylicacid
3.3-dimethyl-2-one-butanoicacid
ca.60%aq.soln.
3,3-dimethyl-2-oxobutyric acid, ca 60% aq. soln.
TRIMETHYLPYRUVIC ACID: CA. 60% AQUEOUS SOLUTION
Trimethylpyruvic acid, ca 60% aq. soln.
2-Oxo-3,3-dimethylbutyric acid
NSC-16648
[EINECS(EC#)]

212-418-2
[Molecular Formula]

C6H10O3
[MDL Number]

MFCD00154352
[Molecular Weight]

130.14
[MOL File]

815-17-8.mol
Chemical PropertiesBack Directory
[Melting point ]

90.5°C
[Boiling point ]

80 °C / 15mmHg
[density ]

1.06
[refractive index ]

1.4270-1.4320
[Fp ]

13 °C
[storage temp. ]

Inert atmosphere,Room Temperature
[Water Solubility ]

Soluble in water
[form ]

powder to lump to clear liquid
[pka]

2.65±0.54(Predicted)
[color ]

White or Colorless to Almost white or Almost colorless
[InChIKey]

IAWVHZJZHDSEOC-UHFFFAOYSA-N
[CAS DataBase Reference]

815-17-8(CAS DataBase Reference)
[NIST Chemistry Reference]

Butanoic acid, 3,3-dimethyl-2-oxo-(815-17-8)
[EPA Substance Registry System]

3,3-Dimethyl-2-oxobutyric acid (815-17-8)
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

3261
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

2918300090
[Hazardous Substances Data]

815-17-8(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hypochlorite-->2-hydroxy-3,3-dimethylbutyric acid-->2,4-Imidazolidinedione, 5-(1,1-dimethylethyl)-5-hydroxy-1,3-diphenyl--->Pinacolone-->ethyl 3,3-dimethyl-2-oxobutanoate-->AKOS AKM00108-->Pivalic acid-->1-HYDROXY-3,3-DIMETHYLBUTAN-2-ONE-->1,1-DICHLOROPINACOLIN
[Preparation Products]

3-thio-4-amino-6-t-butyl-1,2,4-triazine-5-one-->Pivaldehyde-->D-tert-Butylglycine-->2-Adamantanone-->Acetaldehyde-->Cyclohexanone-->BIS(TERT-BUTYLCARBONYLOXY)IODOBENZENE 97-->4-Amino-6-(tert-butyl)-3-mercapto-1,2,4-triazin-5(4H)-one
Hazard InformationBack Directory
[Uses]

3,?3-?Dimethyl-?2-?oxobutyric acid was used as an inhibitor in a study for tuberculosis,as it was analyzed for its binding affinity to pantothenate synthetase (PS)?, an essential metabolic enzyme in the pantothenate biosynthetic.
[Definition]

ChEBI:3,3-dimethyl-2-oxobutanoic acid is a 2-oxo monocarboxylic acid that is 3,3-dimethylbutyric acid substituted by an oxo group at position 2. It is functionally related to a 3,3-dimethylbutyric acid.
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Trimethylpyruvic acid, ca. 60% aq. soln.(815-17-8)
[TCI AMERICA]

3,3-Dimethyl-2-oxobutyric Acid,>94.0%(GC)(815-17-8)
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