CAS Number13831-03-3
Synonyms1,1-Dimethylethyl 2-propynoate; Propiolic acid tert-butyl ester; 1X1&1&OV1UU1; 2-Methyl-2-propanyl propiolate; tert-butyl prop-2-ynoate; MFCD00060100; tert-Butyl Propargylate; 2-Propynoic acid, 1,1-dimethylethyl ester; tert-Butyl Propiolate; Propargylic Acid tert-Butyl Ester; tert-Butyl acetylenecarboxylate
Molecular FormulaHC≡CCOOC(CH3)3
Molecular Weight126.15
Purity98%
Density1.0±0.1 g/cm3
Boiling Point52-53 °C/27 mmHg (lit.)
Melting Point18-20 °C (lit.)
Appearanceliquid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 13831-03-3 |
| Catalog No. | 2A-9035880 |
| Chinese Name | 叔丁基丙炔酸酯 |
| Synonyms | 1,1-Dimethylethyl 2-propynoate; Propiolic acid tert-butyl ester; 1X1&1&OV1UU1; 2-Methyl-2-propanyl propiolate; tert-butyl prop-2-ynoate; MFCD00060100; tert-Butyl Propargylate; 2-Propynoic acid, 1,1-dimethylethyl ester; tert-Butyl Propiolate; Propargylic Acid tert-Butyl Ester; tert-Butyl acetylenecarboxylate |
| Molecular Formula | HC≡CCOOC(CH3)3 |
| Molecular Weight | 126.15 |
| Purity | 98 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 52-53 °C/27 mmHg (lit.) |
| Melting Point | 18-20 °C (lit.) |
| Appearance | liquid |
| Storage Condition | 2-8°C |
| Packaging | II |
| HTC | 2916190090 |
| PubChem ID | 24866283 |
| MDL Number | MFCD00060100 |
| SMILES | CC(C)(C)OC(=O)C#C |
| InChI | 1S/C7H10O2/c1-5-6(8)9-7(2,3)4/h1H,2-4H3 |
| InChI Key | XGTPDIIFEPTULX-UHFFFAOYSA-N |
| Beilstein/REAXYS | 1747175 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | 3.1 |
| MSDS | msds/35880_1_13831_03_3.pdf |
| Tax Rebate | 9.0% |
| Supervision | A. Customs clearance form for inbound goods B. Customs clearance form for outbound goods |
| Inspection | R. Imported food hygiene supervision and inspection S. Export food hygiene supervision and inspection M. Imported commodity inspection N. Exported commodity inspection |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations Classification: Class 3 Flammable Liquids. UN number: 3272 Formal shipping name: Ester, not otherwise specified Packing grade: III |
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