HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 74009Generated: November 2, 2026
1,4-Butanediol monostearate
Einecs 239-372-6 · 4-hydroxybutyl stearate · 1,4-Butanediol 1-stearate · Stearic acid 4-hydroxybutyl ester · Octadecanoic acid 4-hydroxybutyl ester
https://huagongshe.com/en/chemical/74009
Identifiers & Physical Properties
| CAS No. | 1335-20-2 |
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| Molecular formula | C22H44O3 |
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| Average molar mass | 356.6 g/mol |
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| Monoisotopic mass | 356.32904526 g/mol |
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| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCCCO |
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| InChIKey | IKDHIMYPOLRLJB-UHFFFAOYSA-N |
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| PubChem CID | 74009 |
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| EC No. | 215-624-0 |
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| DTXSID | DTXSID3061681 |
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Chemical & Physical Properties
| XLogP | 8.6 |
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| Topological polar surface area | 46.5 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 21 |
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| Heavy atoms | 25 |
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| Formal charge | 0 |
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| Complexity | 266 |
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| Melting point | 40.5-41.0 °C |
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| Boiling point | 454.2±28.0 °C(Predicted) |
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| Density | 0.908±0.06 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 14.99±0.10(Predicted) |
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| FDA UNII | OY671H06VI |
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Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.Not ClassifiedAggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Not Classified |
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