Name | 2-Ketobutyric acid |
Synonyms | butanoic acid 2-oxobutanoate -Oxobutyric acid alpha-Oxobutyrate 2-oxo-butanoicaci 2-Oxobutyric acid 2-Ketobutyric acid α-Ketobutyric acid Methylpyruvic acid Butanoicacid,2-oxo- Alpha-butanoic acid 2-Ketobutanoic acid Propionylformic acid Butyric acid, 2-oxo- PROPIONYLFORMIC ACID alpha-Ketobutric acid alpha-Oxo-n-butyric acid |
CAS | 600-18-0 |
EINECS | 209-986-9 |
InChI | InChI=1/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)/p-1 |
InChIKey | TYEYBOSBBBHJIV-UHFFFAOYSA-N |
Molecular Formula | C4H6O3 |
Molar Mass | 102.09 |
Density | 1.2000 |
Melting Point | 30-34°C(lit.) |
Boling Point | 84°C20mm Hg(lit.) |
Flash Point | 179°F |
JECFA Number | 589 |
Solubility | H2O: soluble0.1g/mL, clear |
Vapor Presure | 0.482mmHg at 25°C |
Appearance | Colorless crystal |
Specific Gravity | 1.3972 (20/4℃) |
Color | White to Almost white |
BRN | 1700514 |
pKa | 2.5(at 25℃) |
PH | 3.11(1 mM solution);2.38(10 mM solution);1.79(100 mM solution); |
Storage Condition | Store at +2°C to +8°C. |
Sensitive | Easily absorbing moisture |
Refractive Index | 1.3972 (estimate) |
MDL | MFCD00004164 |
In vitro study | 2-Oxobutanoic acid (alpha-Ketobutyric acid) is a product in the enzymatic cleavage of cystathionine. 2-Oxobutanoic acid is a substance that is involved in the metabolism of many amino acids as well as propanoate metabolism and C-5 branched dibasic acid metabolism. 2-Oxobutanoic acid is also one of the degradation products of threonine. It can be converted into propionyl-CoA (and subsequently methylmalonyl CoA, which can be converted into succinyl CoA, a citric acid cycle intermediate), and thus enter the citric acid cycle. |
Hazard Symbols | Xi - Irritant |
Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | 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. |
UN IDs | 1759 |
WGK Germany | 3 |
HS Code | 29183000 |
Hazard Class | 8 |
Packing Group | III |
FEMA | 3723 | 2-OXOBUTYRIC ACID |
NIST chemical information | information provided by: webbook.nist.gov (external link) |
EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
toxicity | GRAS(FEMA). |
usage limit | FEMA(mg/kg): baked product 2.0; Cold beverage 12; Non-alcoholic beverage 1.0. |
biological activity | 2-oxotypanoic acid (2-oxotypyrate, 2-ketouric acid, 2-oxouric acid, alpha-ketobutyric acid, alpha-ketoburic acid) involved in many amino acids and propionic acid, C- 5 branch of the dibasic acid metabolism. |
Use | natural flavor. |