HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 106912Generated: November 3, 2026
2-Mercaptoethyl 2-ethylhexanoate
Einecs 267-404-9 · 2-mercaptoethyl 2-ethylhexanoate · 2-Ethylhexanoic acid 2-mercaptoethyl ester · Hexanoic acid, 2-ethyl-, 2-mercaptoethyl ester
https://huagongshe.com/en/chemical/106912
Identifiers & Physical Properties
| CAS No. | 67859-57-8 |
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| Molecular formula | C10H20O2S |
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| Average molar mass | 204.33 g/mol |
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| Monoisotopic mass | 204.11840105 g/mol |
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| SMILES | CCCCC(CC)C(=O)OCCS |
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| InChIKey | GLZUYMAJJWRTGR-UHFFFAOYSA-N |
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| PubChem CID | 106912 |
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| EC No. | 267-404-9 |
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| DTXSID | DTXSID20886964 |
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Chemical & Physical Properties
| XLogP | 3.2 |
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| Topological polar surface area | 27.3 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 13 |
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| Formal charge | 0 |
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| Complexity | 137 |
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| FDA UNII | 5TNU9SB6FC |
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| EPA Substance Registry System | 2-Mercaptoethyl 2-ethylhexanoate (67859-57-8) |
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| TSCA inventory status | TSCA listed |
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Safety & Regulations
| TSCA inventory status | TSCA listed |
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