4-Pentynoic acid
ALDRICH/232211 - 95%
Synonym: Propargylacetic acid
CAS Number: 6089-09-4
Empirical Formula (Hill Notation): C5H6O2
Molecular Weight: 98.10
EC Number: 228-028-0
MDL Number: MFCD00004407
Linear Formula: CH≡CCH2CH2COOH
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 232211-1G
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 232211-5G
| assay | 95% |
| bp | 110 °C/30 mmHg (lit.) |
| form | solid |
| InChI | 1S/C5H6O2/c1-2-3-4-5(6)7/ |
| InChI key | MLBYLEUJXUBIJJ-UHFFFAOYSA |
| mp | 54-57 °C (lit.) |
| Quality Level | 200  |
| SMILES string | OC(=O)CCC#C |
| storage temp. | 2-8°C |
| Application: | 4-Pentynoic acid was used: • as building block for the synthesis of library of eight sequence-defined model oligomers • in one-pot synthesis of the complex polycyclic heterocycles benzo[4,5]imidazo[1,2-c]pyrrolo[1,2-a]quinazolinone derivatives • in the synthesis of various allenenols lactones [5(E)-(2-allenylidene)-tetrah • in the synthesis of a cyctotoxic macrolide by ring-closing metathesis of a bis acetylene |
| General description: | 4-Pentynoic acid undergoes copper-catalyzed intramolecular cyclizations to form enol lactones. It also reacts with 1-bromo-1-alkynes in the presence of a Pd catalyst to yield biologically active ynenol lactones. |
| Packaging: | 1, 5 g in glass bottle |
| Symbol |  GHS05 |
| Signal word | Danger |
| Hazard statements | H314 |
| Precautionary statements | P260 - P280 - P301 + P330 + P331 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 |
| Hazard Codes | C |
| Risk Statements | 34 |
| Safety Statements | 26-36/37/39-45 |
| RIDADR | UN 3261 8 / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | 95% |
| bp | 110 °C/30 mmHg (lit.) |
| mp | 54-57 °C (lit.) |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |