2-Oxobutyric acid (CAS 600-18-0) — formula C4H6O3, molecular weight 102.03 g/mol.
| CAS Number | 600-18-0 |
|---|---|
| Molecular Formula | C4H6O3 |
| Molecular Weight | 102.03 g/mol |
| Melting Point | 33 |
| Boiling Point | 80-82 °C (16 mm Hg) |
| LogP | 0.1 |
2-Oxobutyric acid is a chemical compound with CAS registry number 600-18-0 and molecular formula C4H6O3 (molecular weight 102.03 g/mol).
CAS number: 600-18-0
Its molecular formula C4H6O3 comprises 4 C, 6 H, 3 O atoms.
Also known as: 2-Oxobutyric acid · 2-酮丁酸
The CAS registry number of 2-Oxobutyric acid is 600-18-0.
Molecular formula C4H6O3, molecular weight 102.03 g/mol.
It is also registered under: 2-Oxobutyric acid, 2-酮丁酸.
Independent reference data for 2-Oxobutyric acid (CAS 600-18-0), compiled from public chemistry databases.
| CAS Registry Number | 600-18-0 |
|---|---|
| PubChem CID | 58 |
| Molecular formula | C4H6O3 |
| Molecular weight | 102.03 g/mol |
| IUPAC name | 2-oxobutanoic acid |
| InChIKey | TYEYBOSBBBHJIV-UHFFFAOYSA-N |
| UNII (FDA) | B92RB6HY1A |
| ChEBI ID | CHEBI:30831 |
| FEMA number | 3723 |
| JECFA number | 589 |
| Molecular Weight | 102.09 |
|---|---|
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 102.031694049 |
| Monoisotopic Mass | 102.031694049 |
| Topological Polar Surface Area | 54.4 |
| Heavy Atom Count | 7 |
| Boiling Point | 80-82 °C (16 mm Hg) |
|---|---|
| Melting Point | 33 |
| Melting Point | 33 °C |
| Solubility | 119 mg/mL |
| Density | 1.200 (d20/4) |
2-oxobutanoic acid; 600-18-0; 2-ketobutyric acid; 2-oxobutyric acid; alpha-ketobutyric acid; BUTANOIC ACID, 2-OXO-; 3-Methylpyruvic acid; Ketobutyrate; 2-oxobutyrate; 2-Ketobutanoic acid; Butyric acid, 2-oxo-; alpha-Oxo-n-butyric acid; alpha-oxobutyric acid; alpha-ketobutyrate; alpha-Oxobutyrate; FEMA No. 3723
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H315 (99.8%), H319 (99.8%), H335 (99.7%) |
|---|
H315 (99.8%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (99.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
2-Oxobutyric acid is identified by CAS 600-18-0, molecular formula C4H6O3 and molecular weight 102.03 g/mol. UNII B92RB6HY1A; ChEBI 30831; InChIKey TYEYBOSBBBHJIV-UHFFFAOYSA-N. Boiling Point: 80-82 °C (16 mm Hg); Melting Point: 33; Melting Point: 33 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-酮丁酸