2-Butynoic acid
Synonym(s):Tetrolic acid
- CAS NO.：590-93-2
- Empirical Formula: C4H4O2
- Molecular Weight: 84.07
- MDL number: MFCD00004363
- EINECS: 209-695-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-15 19:19:13
What is 2-Butynoic acid?
Chemical properties
white to yellow powder
The Uses of 2-Butynoic acid
2-Butynoic acid is used as an intermediate in organic synthesis and pharmaceuticals. It is used as a synthon in various reactions, which includes cylcoalkylation of phenols to flavones and chromones. It is involved in the cyclization of gamma-butyrolactones. It is also used in the synthesis of Z-trisubstituted olefins through μ-alkylation. It plays an important role in the preparation of chirally pure 1,2,3,4-tetrahydroisoquinoline analogs, which finds application as anti-cancer agents.
The Uses of 2-Butynoic acid
Synthon employed in a variety of reactions, including cycloacylation of phenols to flavones and chromones,1 and cyclization to γ-butyrolactones.2
General Description
The rotational spectrum of 2-butynoic acid was measured by pulsed supersonic-jet Fourier transform microwave spectroscopy.
Properties of 2-Butynoic acid
| Melting point: | 78-80 °C (lit.) |
| Boiling point: | 200-203°C |
| Density | 0,9641 g/cm3 |
| refractive index | 1.3918 (estimate) |
| Flash point: | 200-203°C |
| storage temp. | Sealed in dry,2-8°C |
| solubility | water: soluble50mg/mL, clear to very slightly hazy, colorless to very faintly yellow |
| pka | 2.62(at 25℃) |
| form | Powder |
| color | White to yellow |
| Water Solubility | Soluble in water. Slightly soluble in methanol and chloroform. |
| BRN | 1740205 |
| CAS DataBase Reference | 590-93-2(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Butynoic acid(590-93-2) |
| EPA Substance Registry System | 2-Butynoic acid (590-93-2) |
Safety information for 2-Butynoic acid
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P363:Wash contaminated clothing before reuse. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 2-Butynoic acid
| InChIKey | LUEHNHVFDCZTGL-UHFFFAOYSA-N |
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