HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 6439708Generated: October 28, 2026
Triprene
ENT 70513 · (2E,4E)-1-ethylsulfanyl-11-methoxy-3,7,11-trimethyl-dodeca-2,4-dien-1- one · 2,4-Dodecadienethioic acid, 11-methoxy-3,7,11-trimethyl-, S-ethyl ester, (2E,4E)-
https://huagongshe.com/en/chemical/6439708
Identifiers & Physical Properties
| CAS No. | 40596-80-3 |
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| Molecular formula | C18H32O2S |
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| Average molar mass | 312.5 g/mol |
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| Monoisotopic mass | 312.21230126 g/mol |
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| SMILES | CCSC(=O)/C=C(C)/C=C/CC(C)CCCC(C)(C)OC |
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| InChIKey | YGBMMMOLNODPBP-GWGZPXPZSA-N |
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| PubChem CID | 6439708 |
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| ChEMBL | CHEMBL36831 |
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| DTXSID | DTXSID3042502 |
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Chemical & Physical Properties
| XLogP | 5.6 |
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| Topological polar surface area | 51.6 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 11 |
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| Heavy atoms | 21 |
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| Formal charge | 0 |
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| Complexity | 356 |
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| FDA UNII | 888S6M89C1 |
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| EPA Substance Registry System | Triprene (40596-80-3) |
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| Toxicity | LD50 oral in rat: > 10gm/kg |
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Safety & Regulations
| Toxicity | LD50 oral in rat: > 10gm/kg |
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