HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 106948Generated: November 3, 2026
Benzoic acid, 4-((7-hydroxy-3,7-dimethyloctylidene)amino)-, ethyl ester
Einecs 267-611-4 · ethyl 4-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate · 4-[(7-Hydroxy-3,7-dimethyloctylidene)amino]benzoic acid ethyl ester · 3,7-Dimethyl-7-hydroxy-N-octylidene-p-aminobenzoic acid, ethyl ester · Benzoic acid, 4-((7-hydroxy-3,7-dimethyloctylidene)amino)-, ethyl ester
https://huagongshe.com/en/chemical/106948
Identifiers & Physical Properties
| CAS No. | 67893-08-7 |
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| Molecular formula | C19H29NO3 |
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| Average molar mass | 319.4 g/mol |
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| Monoisotopic mass | 319.21474379 g/mol |
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| SMILES | CCOC(=O)c1ccc(N=CCC(C)CCCC(C)(C)O)cc1 |
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| InChIKey | XVBLHUKRTCOMPF-UHFFFAOYSA-N |
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| PubChem CID | 106948 |
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| EC No. | 267-611-4 |
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| DTXSID | DTXSID70887022 |
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Chemical & Physical Properties
| XLogP | 3.7 |
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| Topological polar surface area | 58.9 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 10 |
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| Heavy atoms | 23 |
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| Formal charge | 0 |
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| Complexity | 371 |
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| Boiling point | 454.0±45.0 °C(Predicted) |
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| Density | 1.00±0.1 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 15.31±0.29(Predicted) |
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| EPA Substance Registry System | Benzoic acid, 4-[(7-hydroxy-3,7-dimethyloctylidene)amino]-, ethyl ester (67893-08-7) |
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| TSCA inventory status | TSCA listed |
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Safety & Regulations
| TSCA inventory status | TSCA listed |
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