tert-Butyl propiolate
ALDRICH/419885 - 98%
Synonym: tert-Butyl acetylenecarboxylate
CAS Number: 13831-03-3
Empirical Formula (Hill Notation): C7H10O2
Molecular Weight: 126.15
MDL Number: MFCD00060100
Linear Formula: HC≡CCOOC(CH3)3
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: 419885-1G.
| assay | 98% |
| bp | 52-53 °C/27 mmHg (lit.) |
| density | 0.919 g/mL at 25 °C (lit.) |
| form | liquid |
| functional group | ester |
| InChI | 1S/C7H10O2/c1-5-6(8)9-7(2 |
| InChI key | XGTPDIIFEPTULX-UHFFFAOYSA |
| mp | 18-20 °C (lit.) |
| Quality Level | 200  |
| refractive index | n |
| SMILES string | CC(C)(C)OC(=O)C#C |
| Application: | tert-Butyl propiolate may be used in the preparation of heterocycles, alkaloids, and unsaturated amino acids. |
| General description: | tert-Butyl propiolate is an ester. It reacts with methimazole to afford tert-butyl (E)-3-(1-methyl-1H-imidazol-2-ylthio) acrylate. Crystallographic data for the lithium enolate of tert-butyl propiolate has been described.. |
| Packaging: | 1 g in glass bottle |
| Packaging: | Bottomless glass bottle. Contents are inside inserted fused cone. |
| Symbol |   GHS02,GHS07 |
| Signal word | Warning |
| Hazard statements | H226 - H315 - H319 - H335 |
| Precautionary statements | P210 - P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 10-36/37/38 |
| Safety Statements | 26-36/37/39 |
| RIDADR | UN 3272 3 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 82.4 °F - closed cup |
| Flash Point(C) | 28 °C - closed cup |
| Purity | 98% |
| bp | 52-53 °C/27 mmHg (lit.) |
| mp | 18-20 °C (lit.) |
| Density | 0.919 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |