HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl but-2-ynoate
methyl but-2-ynoate · METHYL TETROLATE · Methyle2-butynoate · Methyl 2-butynoate · Methyl-2-Butynaote97% · Methyl 2-butynoate,97% · TETROLIC ACID METHYL ESTER · Methyl 2-butynoate, 97% 5GR
Identifiers & Physical Properties
| CAS No. | 23326-27-4 |
|---|---|
| Molecular formula | C5H6O2 |
| Average molar mass | 98.1 g/mol |
| Monoisotopic mass | 98.03677943 g/mol |
| SMILES | CC#CC(=O)OC |
| InChIKey | UJQCANQILFWSDJ-UHFFFAOYSA-N |
| PubChem CID | 141019 |
| EC No. | 675-802-2 |
| DTXSID | DTXSID90177876 |
Chemical & Physical Properties
| XLogP | 1.1 |
|---|---|
| Topological polar surface area | 26.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 124 |
| Boiling point | 76-77 °C (80 mmHg) |
| Density | 0.98 |
| Refractive index | 1.436-1.438 |
| Flash point | 45 °C |
| Storage conditions | Flammables area |
| Physical state | Liquid |
| Color | Clear colorless to yellow |
| InChI | InChI=1S/C5H6O2/c1-3-4-5(6)7-2/h1-2H3 |
| InChIKey | UJQCANQILFWSDJ-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C#CC |
| CAS DataBase Reference | 23326-27-4(CAS DataBase Reference) |
| GHS pictogram | GHS02,GHS07 |
| Signal word | Warning |
| GHS hazard statements | H226-H315-H319 |
| GHS precautionary statements | P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501 |
| Hazard symbols | Xn |
| Risk statements (R) | 10-36/37/38-20/21/22 |
| Safety statements (S) | 16-36/37/39-26 |
| UN transport number | 1993 |
| Hazard class | 3.2 |
| Packing group | III |
| Customs code | 29161900 |
| 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 (100%): 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| UN transport number | 1993 |
| Customs code | 29161900 |
| Risk statements (R) | 10-36/37/38-20/21/22 |
| Signal word | Warning |
| GHS pictogram | GHS02,GHS07 |
| Hazard symbols | Xn |
| Safety statements (S) | 16-36/37/39-26 |
| Hazard class | 3.2 |
| Packing group | III |
| GHS hazard statements | H226-H315-H319 |
| 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-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501 |
Applications & Uses
Uses
Methyl 2-Butynoate, is an alkynoate used in preparation of various compounds such as preparation of phenanthrenes/benzoindolyl carboxylates.