HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 106965Generated: November 2, 2026
Nonanoic acid, 3,5,5-trimethylhexyl ester
Einecs 267-767-3 · 3,5,5-Trimethylhexyl nonanoate · 3,5,5-trimethylhexyl nonan-1-oate · Nonanoic acid 3,5,5-trimethylhexyl ester
https://huagongshe.com/en/chemical/106965
Identifiers & Physical Properties
| CAS No. | 67923-51-7 |
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| Molecular formula | C18H36O2 |
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| Average molar mass | 284.5 g/mol |
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| Monoisotopic mass | 284.27153039 g/mol |
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| SMILES | CCCCCCCCC(=O)OCCC(C)CC(C)(C)C |
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| InChIKey | HSAPRRNIACHOPX-UHFFFAOYSA-N |
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| PubChem CID | 106965 |
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| EC No. | 267-767-3 |
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| DTXSID | DTXSID50887040 |
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Chemical & Physical Properties
| XLogP | 7.1 |
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| Topological polar surface area | 26.3 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 13 |
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| Heavy atoms | 20 |
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| Formal charge | 0 |
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| Complexity | 240 |
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| Boiling point | 309.9±10.0 °C(Predicted) |
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| Density | 0.863±0.06 g/cm3(Predicted) |
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| EPA Substance Registry System | 3,5,5-Trimethylhexyl nonanoate (67923-51-7) |
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| TSCA inventory status | TSCA listed |
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Safety & Regulations
| TSCA inventory status | TSCA listed |
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