Hex-1-yn-3-one
hex-1-yn-3-one
Also Known As: Hex-1-yn-3-one|1-Hexyn-3-one|Ethynyl propyl ketone|1-Hexyne-3-one|Ethynylpropylketone|HC.$.CCOCH2CH2CH3|HC.equiv.CCOCH2CH2CH3
CAS: 689-00-9
| Molecular Formula | CCCC(=O)C#C |
|---|---|
| Molecular Weight | 96.05752 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 96.05752 |
| Monoisotopic Mass | 96.05752 |
| Heavy Atoms | 7 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 689-00-9 |
|---|---|
| SMILES | CCCC(=O)C#C |
| InChIKey | KSJAIMUFADDAOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Biotechnology (3 patents)
Heterocyclic Building Blocks (7 patents)
Lubricants & Additives (100 patents)
Organic Building Blocks (6 patents)
Organometallic Reagents (4 patents)
Pharmaceutical Intermediates (4 patents)
Plastic Additives (3 patents)
Polymer Intermediates (2 patents)
Specialty Chemicals (3 patents)
Product Overview
Hex-1-yn-3-one (CAS 689-00-9), with molecular formula CCCC(=O)C#C and molecular weight 96.05752 g/mol. IUPAC: hex-1-yn-3-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
Frequently Asked Questions
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