tert-butyl propiolate (CAS 13831-03-3) — formula C7H10O2, molecular weight 126.15; category organic chemicals.
| CAS Number | 13831-03-3 |
|---|---|
| Molecular Formula | C7H10O2 |
| Molecular Weight | 126.15 |
| LogP | 1.6 |
| Category | Organic Chemicals |
tert-butyl propiolate is a carbon-based organic compound with CAS registry number 13831-03-3 and molecular formula C7H10O2 (molecular weight 126.15), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 13831-03-3
Its molecular formula C7H10O2 comprises 7 C, 10 H, 2 O atoms.
Also known as: tert-butyl propiolate · 丙炔酸叔丁酯
Category: organic chemicals
The CAS registry number of tert-butyl propiolate is 13831-03-3.
Molecular formula C7H10O2, molecular weight 126.15.
It is also registered under: tert-butyl propiolate, 丙炔酸叔丁酯.
Category: Organic Chemicals.
Independent reference data for tert-butyl propiolate (CAS 13831-03-3), compiled from public chemistry databases.
| CAS Registry Number | 13831-03-3 |
|---|---|
| PubChem CID | 543038 |
| Molecular formula | C7H10O2 |
| IUPAC name | tert-butyl prop-2-ynoate |
| UNII (FDA) | ST51038321 |
| Molecular Weight | 126.15 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 126.068079557 |
| Monoisotopic Mass | 126.068079557 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 9 |
tert-Butyl propiolate; 13831-03-3; DTXSID50337479; RefChem:896486; DTXCID40288567; 627-220-5; tert-butyl prop-2-ynoate; Propiolic acid tert-butyl ester; 2-Propynoic acid, 1,1-dimethylethyl ester; MFCD00060100; t-butyl propiolate; BOC-acetylene; Propargylic Acid tert-Butyl Ester; 2-propynoic acid t-butylester; SCHEMBL1060660; AKOS005259870
| Reported hazard statements | H226 (100%), H315 (100%), H319 (100%), H335 (98%) |
|---|
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
tert-butyl propiolate · CAS 13831-03-3 · C7H10O2. UNII ST51038321.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 丙炔酸叔丁酯