HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 175482Generated: November 3, 2026
2-Methyl-4-(2,6,6-trimethylcyclohex-2-EN-1-YL)butanal
2-orris butanal · 2-Cyclohexene-1-butanal, α,2,6,6-tetramethyl- · α,2,6,6-tetramethyl-2-cyclohexene-1-butyraldehyde · 2-Methyl-4-(2,6,6-trimethyl-2-cyclohexenyl)butanal · alpha.,2,6,6-Tetramethyl-2-cyclohexen-1-butyraldehyd · alpha,2,6,6-tetramethyl-2-cyclohexene-1-butyraldehyde
https://huagongshe.com/en/chemical/175482
Identifiers & Physical Properties
| CAS No. | 73398-85-3 |
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| Molecular formula | C14H24O |
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| Average molar mass | 208.34 g/mol |
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| Monoisotopic mass | 208.18271539 g/mol |
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| SMILES | CC1=CCCC(C)(C)C1CCC(C)C=O |
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| InChIKey | VDBFZEMBBKEKPI-UHFFFAOYSA-N |
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| PubChem CID | 175482 |
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| EC No. | 277-458-5 |
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| DTXSID | DTXSID801358476 |
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Chemical & Physical Properties
| XLogP | 3.7 |
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| Topological polar surface area | 17.1 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 15 |
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| Formal charge | 0 |
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| Complexity | 250 |
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| Flavoring agents | EU Flavoring substances |
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| FLAVIS Number | 05.183 | 4-(2,6,6-Trimethylcyclohexenyl)-2-methylbutanal |
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| LogP (partition coefficient) | 4.820 (est) |
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| FDA UNII | T2RHF282JD |
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| EPA Substance Registry System | 2-Cyclohexene-1-butanal, .alpha.,2,6,6-tetramethyl- (73398-85-3) |
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| TSCA inventory status | TSCA listed |
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Safety & Regulations
| Regulatory information | Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012) |
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| TSCA inventory status | TSCA listed |
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