≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Description
2-Octynal was used in the synthesis of (R)- and (S)-argentilactone via enantioselective catalytic allylation (ECA) and ring-closing metathesis pathways.
| Kanonisches Lächeln | CCCCCC#CC=O |
|---|---|
| IUPAC Name | oct-2-ynal |
| InChIKey | DUUGWLGPIZCNLM-UHFFFAOYSA-N |
| INCHI | 1S/C8H12O/c1-2-3-4-5-6-7-8-9/h8H,2-5H2,1H3 |
| Isomere SMILES | CCCCCC#CC=O |
| WGK Deutschland | 3 |
| Molekulargewicht | 124.18 |
| Reaxy-Rn | 1702428 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1702428&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 oxygen compounds |
| Klasse | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Aldehydes |
| Direct Parent | Medium-chain aldehydes |
| Alternative Parents | Ynals Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Medium-chain aldehyde - Ynal - Alpha,beta-unsaturated aldehyde - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. |
| External Descriptors | Not available |
| Flammpunkt (°F) | 154.4 °F |
|---|---|
| Flammpunkt (°C) | 68 °C |
| Molekulargewicht | 124.180 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 124.089 Da |
| Monoisotopic Mass | 124.089 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 124.000 |
| 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 |
| 1. Han Li, Xiaoming Wu, Yan Miao, Fengyu Dong, Xinjing Gui, Panpan Wang, Xuelin Li, Ruixin Liu. (2025) Quality Consistency Evaluation of Chemical Composition and Pharmacology of Pheretima aspergillum Dispensing Granules and Traditional Decoction Based on HPLC, GC-IMS, and Animal Experiments. JOURNAL OF SEPARATION SCIENCE, 48 (2): (e70090). [PMID:39899457] [10.1002/jssc.70090] |
