HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Pentyn-1-ol
pent-2-yn-1-ol · CCC#CCO · 2-pentyn-1-0l · 2-PENTYN-2-OL · 1-pentyn-1-ol · 2-PENTYN-1-OL · 2-PENTYNE-1-OL · 2-Pentyn-1-ol>2-Pentyn-1-ol 98%
Identifiers & Physical Properties
| CAS No. | 6261-22-9 |
|---|---|
| Molecular formula | C5H8O |
| Average molar mass | 84.12 g/mol |
| Monoisotopic mass | 84.05751488 g/mol |
| SMILES | CCC#CCO |
| InChIKey | WLPYSOCRPHTIDZ-UHFFFAOYSA-N |
| PubChem CID | 80421 |
| EC No. | 228-411-2 |
| DTXSID | DTXSID0064177 |
Chemical & Physical Properties
| XLogP | 0.6 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 6 |
| Formal charge | 0 |
| Complexity | 72.4 |
| SpringerMaterials Properties | Density |
| Melting point | -49.7°C |
| Boiling point | 84-85 °C/57 mmHg (lit.) |
| Density | 0.909 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.452(lit.) |
| Flash point | 137 °F |
| Storage conditions | 2-8°C |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Physical state | clear liquid |
| pKa (acidity coefficient) | 13.04±0.10(Predicted) |
| Color | Colorless to Light yellow to Light orange |
| BRN | 1734007 |
| InChI | 1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3 |
| InChIKey | WLPYSOCRPHTIDZ-UHFFFAOYSA-N |
| SMILES | CCC#CCO |
| CAS DataBase Reference | 6261-22-9(CAS DataBase Reference) |
| FDA UNII | A2E2Y3AQD6 |
| EPA Substance Registry System | 2-Pentyn-1-ol (6261-22-9) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS02,GHS07 |
| Signal word | Warning |
| GHS hazard statements | H226-H315-H319-H335 |
| GHS precautionary statements | P210-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36/37/39-37/39 |
| UN transport number | UN 1987 3/PG 3 |
| Water hazard class (WGK) | 3 |
| F | 10 |
| TSCA inventory status | TSCA listed |
| Hazard class | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Packing group | III |
| Customs code | 2905190098 |
| Storage class | 3 - Flammable liquids |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| GHS classification | WarningH226 (97.8%): Flammable liquid and vapor [Warning 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)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: 2-Pentyn-1-ol |
| Hazard Classes and Categories | Flam. Liq. 3 (97.8%) |
| F | 10 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| UN transport number | UN 1987 3/PG 3 |
| Customs code | 2905190098 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS02,GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36/37/39-37/39 |
| Hazard class | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Storage class | 3 - Flammable liquids |
| Packing group | III |
| Target organs | Respiratory system |
| GHS hazard statements | H226-H315-H319-H335 |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| GHS precautionary statements | P210-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
2-Pentyn-1-ol was employed as starting reagent for the synthesis of (-)-muricatacin. It was also used in the preparation of (2Z)-3-tributylstannyl-2-penten-1-ol.