HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 106926Generated: November 3, 2026
Hexanedioic acid, 2,4,4-trimethyl-, 6-decyl 1-octyl ester
Einecs 267-447-3 · 6-decyl 1-octyl 2,4,4-trimethyladipate · 2,4,4-Trimethyladipic acid, octyl decyl ester · 2,4,4-Trimethylhexanedioic acid 6-decyl 1-octyl ester · Hexanedioic acid, 2,4,4-trimethyl-, 6-decyl 1-octyl ester
https://huagongshe.com/en/chemical/106926
Identifiers & Physical Properties
| CAS No. | 67873-93-2 |
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| Molecular formula | C27H52O4 |
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| Average molar mass | 440.7 g/mol |
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| Monoisotopic mass | 440.38656014 g/mol |
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| SMILES | CCCCCCCCCCOC(=O)CC(C)(C)CC(C)C(=O)OCCCCCCCC |
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| InChIKey | XFIZFSOWVUXQHE-UHFFFAOYSA-N |
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| PubChem CID | 106926 |
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| EC No. | 267-447-3 |
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| DTXSID | DTXSID30886975 |
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Chemical & Physical Properties
| XLogP | 9.9 |
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| Topological polar surface area | 52.6 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 23 |
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| Heavy atoms | 31 |
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| Formal charge | 0 |
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| Complexity | 445 |
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| Boiling point | 429.301±13.00 °C(Press: 760.00 Torr)(predicted) |
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| Density | 0.915±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
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| EPA Substance Registry System | Hexanedioic acid, 2,4,4-trimethyl-, 6-decyl 1-octyl ester (67873-93-2) |
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| TSCA inventory status | TSCA listed |
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Safety & Regulations
| TSCA inventory status | TSCA listed |
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