HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 106940Generated: November 2, 2026
Hexanoic acid, 2-ethyl-, phenylmethyl ester
Einecs 267-512-6 · benzyl 2-ethylhexanoate · Hexanoic acid, 2-ethyl-, phenylmethyl ester
https://huagongshe.com/en/chemical/106940
Identifiers & Physical Properties
| CAS No. | 67874-83-3 |
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| Molecular formula | C15H22O2 |
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| Average molar mass | 234.33 g/mol |
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| Monoisotopic mass | 234.16197994 g/mol |
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| SMILES | CCCCC(CC)C(=O)OCc1ccccc1 |
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| InChIKey | FHCYNCMLCRSWSM-UHFFFAOYSA-N |
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| PubChem CID | 106940 |
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| EC No. | 267-512-6 |
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| DTXSID | DTXSID10886998 |
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Chemical & Physical Properties
| XLogP | 4.4 |
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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 | 8 |
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| Heavy atoms | 17 |
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| Formal charge | 0 |
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| Complexity | 207 |
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| EPA Substance Registry System | Benzyl 2-ethylhexanoate (67874-83-3) |
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| TSCA inventory status | TSCA listed |
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Safety & Regulations
| TSCA inventory status | TSCA listed |
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