5-HEXENOIC ACID
- CAS NO.：1577-22-6
- Empirical Formula: C6H10O2
- Molecular Weight: 114.14
- MDL number: MFCD00046558
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-05-27 15:57:40
What is 5-HEXENOIC ACID?
The Uses of 5-HEXENOIC ACID
5-Hexenoic acid is used as an organic chemical synthesis intermediate.
The Uses of 5-HEXENOIC ACID
5-Hexenoic acid may be used for the preparation of iodolactone derivatives and fluorine-containing δ-valerolactones.
Definition
ChEBI: Delta-hexenoic acid is a medium-chain fatty acid.
Synthesis Reference(s)
Journal of the American Chemical Society, 112, p. 6729, 1990 DOI: 10.1021/ja00174a053
Properties of 5-HEXENOIC ACID
| Melting point: | -37°C |
| Boiling point: | 105 °C/15 mmHg (lit.) |
| Density | 0.961 g/mL at 25 °C (lit.) |
| refractive index | 1.4340 |
| Flash point: | 107°C/17mm |
| storage temp. | Sealed in dry,Room Temperature |
| form | clear liquid |
| pka | 4.76±0.10(Predicted) |
| Specific Gravity | 0.961 |
| color | Colorless to Light yellow |
| Water Solubility | Insoluble in water. |
| BRN | 1743172 |
| InChI | InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H,7,8) |
| CAS DataBase Reference | 1577-22-6(CAS DataBase Reference) |
Safety information for 5-HEXENOIC ACID
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
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. P405:Store locked up. |
Computed Descriptors for 5-HEXENOIC ACID
| InChIKey | XUDOZULIAWNMIU-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCCC=C |
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![TETRAMETHYL 2,6-DIHYDROXYBICYCLO[3.3.1]NONA-2,6-DIENE-1,3,5,7-TETRACARBOXYLATE](https://img.chemicalbook.in/CAS/GIF/6966-22-9.gif)
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