≥94% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Diethyl 3-butenylphosphonate is used as a reactant for synthesis of bisphosphonate enynes, bicyclo[3.3.1]alkenone framework compounds by gold-catalyzed Diels-Alder reactions and chemoenzymatic synthesis of phosphic derivatives of carbohydrates.
| Canonical Smiles | CCOP(=O)(CCC=C)OCC |
|---|---|
| IUPAC Name | 4-diethoxyphosphorylbut-1-ene |
| InChIKey | NUDGAPYPOAQVLP-UHFFFAOYSA-N |
| INCHI | 1S/C8H17O3P/c1-4-7-8-12(9,10-5-2)11-6-3/h4H,1,5-8H2,2-3H3 |
| Isomeric SMILES | CCOP(=O)(CCC=C)OCC |
| WGK Germany | 3 |
| UN Number | 2810 |
| Packing Group | III |
| Molecular Weight | 192.19 |
| Reaxy-Rn | 2326411 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2326411&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic phosphonic acids and derivatives |
| Subclass | Phosphonic acid diesters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dialkyl alkylphosphonates |
| Alternative Parents | Phosphonic acid esters Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Dialkyl alkylphosphonate - Phosphonic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as dialkyl alkylphosphonates. These are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl group. |
| External Descriptors | Not available |
| Flash Point(°F) | 221 °F |
|---|---|
| Flash Point(°C) | 105 °C |
| Boil Point(°C) | 55° C (lit.) at 0.55 mmHg |
| Molecular Weight | 192.190 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 192.092 Da |
| Monoisotopic Mass | 192.092 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 158.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
