HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Penten-4-yne
pent-1-en-4-yne · 1-Penten-4-yne · 4-penten-1-yne · ALLYL ACETYLENE · CH2=CHCH2CequivCH · vinyl(ethynyl)methane · 1-Penten-4-yne (6CI, 7CI, 8CI, 9CI)
Identifiers & Physical Properties
| CAS No. | 871-28-3 |
|---|---|
| Molecular formula | C5H6 |
| Average molar mass | 66.1 g/mol |
| Monoisotopic mass | 66.04695019 g/mol |
| SMILES | C#CCC=C |
| InChIKey | LKOBTUTURSPCEE-UHFFFAOYSA-N |
| PubChem CID | 522708 |
| EC No. | 963-074-1 |
| DTXSID | DTXSID80870788 |
Chemical & Physical Properties
| XLogP | 1.6 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 1 |
| Heavy atoms | 5 |
| Formal charge | 0 |
| Complexity | 61.4 |
| SpringerMaterials Properties | Density |
| Melting point | -113°C (estimate) |
| Boiling point | 42-43°C |
| Density | 0,78 g/cm3 |
| Refractive index | 1.4125 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P280-P305+P351+P338 |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36/37/39 |
Safety & Regulations
| GHS classification | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Safety statements (S) | 26-36/37/39 |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P280-P305+P351+P338 |
Applications & Uses
Uses
1-Penten-4-yne is a building block used in organic synthesis. Used in the synthesis of trocheliophorolides as well as in the enantioselective synthesis of nonracemic geminal silylboronates.