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3-acetylheptane-2，6-dione - ≥95% , CAS No.29214-57-1
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GRADE & PURITY ≥95%
Storage
Room temperature
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Why this grade
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Spezifikationen & Reinheit
≥95%
Storage
Room temperature
Reinheit
≥95%
Produkteigenschaften
| ALogP | -0.2 |
|---|
Namen und Kennungen
| Kanonisches Lächeln | CC(=O)CCC(C(=O)C)C(=O)C |
|---|---|
| IUPAC Name | 3-acetylheptane-2,6-dione |
| InChIKey | RQZJIXZNJBCGQC-UHFFFAOYSA-N |
| INCHI | 1S/C9H14O3/c1-6(10)4-5-9(7(2)11)8(3)12/h9H,4-5H2,1-3H3 |
| Isomere SMILES | CC(=O)CCC(C(=O)C)C(=O)C |
| PubChem CID | 98352 |
| Molekulargewicht | 170.21 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organic oxygen compounds
- Klasse Organooxygen compounds
- Subclass Carbonyl compounds
- Ebene5 1,3-dicarbonyl compounds
- Ebene6 Beta-diketones
- Ebene5 1,3-dicarbonyl compounds
- Subclass Carbonyl compounds
- Klasse Organooxygen compounds
- Superclass Organic oxygen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Klasse | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | 1,3-dicarbonyl compounds |
| Direct Parent | Beta-diketones |
| Alternative Parents | Ketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | 1,3-diketone - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom. |
| External Descriptors | Not available |
3D-Struktur
Interaktives chemisches Strukturmodell
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
| Molekulargewicht | 170.210 g/mol |
|---|---|
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 170.094 Da |
| Monoisotopic Mass | 170.094 Da |
| Topological Polar Surface Area | 51.200 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 192.000 |
| 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 |
Lösungsrechner
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