HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 166364Generated: October 28, 2026
1,3-Hexanedione, 5-methyl-1-(3-methyl-3-cyclohexen-1-yl)-
5-methyl-1-(3-methylcyclohex-3-enyl)hexane-1,3-dione · 5-Methyl-1-(3-methyl-3-cyclohexen-1-yl)-1,3-hexanedione
https://huagongshe.com/en/chemical/166364
Identifiers & Physical Properties
| CAS No. | 72928-14-4 |
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| Molecular formula | C14H22O2 |
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| Average molar mass | 222.32 g/mol |
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| Monoisotopic mass | 222.16197994 g/mol |
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| SMILES | CC1=CCCC(C(=O)CC(=O)CC(C)C)C1 |
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| InChIKey | QASVIWADBJDQAA-UHFFFAOYSA-N |
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| PubChem CID | 166364 |
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| EC No. | 277-053-3 |
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| DTXSID | DTXSID80888308 |
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Chemical & Physical Properties
| XLogP | 2.5 |
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| Topological polar surface area | 34.1 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 16 |
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| Formal charge | 0 |
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| Complexity | 300 |
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| EPA Substance Registry System | 1,3-Hexanedione, 5-methyl-1-(3-methyl-3-cyclohexen-1-yl)- (72928-14-4) |
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| TSCA inventory status | TSCA listed |
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Safety & Regulations
| Regulatory information | Chemical: 1,3-Hexanedione, 5-methyl-1-(3-methyl-3-cyclohexen-1-yl)- |
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| Other safety information | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
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| TSCA inventory status | TSCA listed |
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