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600-18-0

600-18-0 Structure

600-18-0 Structure
IdentificationMore
[Name]

2-Oxobutyric acid
[CAS]

600-18-0
[Synonyms]

2-KETOBUTYRIC ACID
2-KETO-N-BUTYRIC ACID
2-OXOBUTANOIC ACID
2-OXOBUTYRIC ACID
3-METHYLPYRUVIC ACID
A-KETOBUTYRIC ACID
ALPHA-KETOBUTYRIC ACID
ALPHA-KETO-N-BUTYRIC ACID
ALPHA-OXOBUTYRIC ACID
FEMA 3723
FEMA NUMBER 3723
PROPIONYLFORMIC ACID
2-Ketobutanoic acid
2-oxo-butanoicaci
alpha-Ketobutric acid
alpha-Oxobutyrate
alpha-Oxo-n-butyric acid
Butanoicacid,2-oxo-
Butyric acid, 2-oxo-
Formic acid, propionyl-
[EINECS(EC#)]

209-986-9
[Molecular Formula]

C4H6O3
[MDL Number]

MFCD00004164
[Molecular Weight]

102.09
[MOL File]

600-18-0.mol
Chemical PropertiesBack Directory
[Appearance]

COLOURLESS TO ALMOST COLOURLESS CRYSTALS
[Melting point ]

30-34 °C(lit.)
[Boiling point ]

84 °C20 mm Hg(lit.)
[density ]

1.2000
[FEMA ]

3723
[refractive index ]

1.3972 (estimate)
[Fp ]

179 °F
[storage temp. ]

−20°C
[solubility ]

H2O: soluble0.1g/mL, clear
[form ]

liquid
[pka]

2.5(at 25℃)
[color ]

White to Almost white
[Specific Gravity]

1.3972 (20/4℃)
[Odor]

at 1.00 % in propylene glycol. sweet brown caramel creamy lactonic
[PH]

1.1 (100g/l, H2O, 20℃)
[biological source]

synthetic
[Odor Type]

caramellic
[JECFA Number]

589
[BRN ]

1700514
[Major Application]

cleaning products
cosmetics
food and beverages
personal care
[InChI]

1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)
[InChIKey]

TYEYBOSBBBHJIV-UHFFFAOYSA-N
[SMILES]

CCC(C(O)=O)=O
[LogP]

-0.75
[CAS DataBase Reference]

600-18-0(CAS DataBase Reference)
[NIST Chemistry Reference]

Butanoic acid, 2-oxo-(600-18-0)
[EPA Substance Registry System]

600-18-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
[Hazard Codes ]

Xi
[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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing .
[RIDADR ]

1759
[WGK Germany ]

3
[TSCA ]

TSCA listed
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29183000
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Eye Dam. 1
Skin Corr. 1B
Raw materials And Preparation ProductsBack Directory
[Raw materials]

D-2-Aminobutyric acid
[Preparation Products]

alpha-Ketobutyric acid sodium salt-->5-Bromo-3-methylindole-->bucloxic acid-->Ethyl3-methyl-2-indolecarboxylate-->Ethyl 3-bromo-2-oxobutyrate-->Ethyl 3-oxobutanoate sodium salt-->Butanoic acid, 2-oxo-, 1,1-dimethylethyl ester-->3-Methyl-4-phenylquinoline-2-carboxylic acid-->1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 3-Methyl--->(2S,3R)-2-Amino-3-(4-hydroxy-phenyl)-butyric acid
Hazard InformationBack Directory
[Chemical Properties]

2-Oxobutyric acid has a sweet, brown, caramel, creamy odor.
[Chemical Properties]

COLOURLESS TO ALMOST COLOURLESS CRYSTALS
[Occurrence]

Reported found in beer and black tea.
[Uses]

A substrate for the determination of lactate dehydrogenase isoenzymes.
[Definition]

ChEBI: A 2-oxo monocarboxylic acid that is the 2-oxo derivative of butanoic acid.
[Taste threshold values]

Taste characteristics at 25 ppm: sweet, brown, creamy, caramellic with a fatty nuance.
[General Description]

2-Oxobutyric acid is mainly found in the hydrolysates of proteins, reportedly being formed by the degradation of threonine.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

2-Oxobutyric acid(600-18-0)1HNMR
2-Oxobutyric acid(600-18-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

600-18-0(sigmaaldrich)
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