PROPIONYLFORMIC ACID
2-Ketobutyric acid
CAS: 600-18-0
Molecular Formula: C4H6O3
PROPIONYLFORMIC ACID - Names and Identifiers
| 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 |
PROPIONYLFORMIC ACID - Physico-chemical Properties
| 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. |
PROPIONYLFORMIC ACID - Risk and Safety
| 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 |
PROPIONYLFORMIC ACID - Reference Information
| 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. |
Last Update：2024-04-09 02:00:09
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