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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCC(OC)(OC)OC |
|---|---|
| IUPAC Name | 1,1,1-trimethoxybutane |
| InChIKey | JAFMOTJMRSZOJE-UHFFFAOYSA-N |
| INCHI | 1S/C7H16O3/c1-5-6-7(8-2,9-3)10-4/h5-6H2,1-4H3 |
| Isomeric SMILES | CCCC(OC)(OC)OC |
| WGK Germany | 3 |
| PubChem CID | 123512 |
| UN Number | 3272 |
| Molecular Weight | 148.2 |
| Beilstein | 1737319 |
| Reaxy-Rn | 1737319 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | May 18, 2026 | T107302 | |
| Certificate of Analysis | May 18, 2026 | T107302 | |
| Certificate of Analysis | May 18, 2026 | T107302 | |
| Certificate of Analysis | Apr 03, 2025 | T107302 | |
| Certificate of Analysis | Apr 03, 2025 | T107302 | |
| Certificate of Analysis | Mar 22, 2024 | T107302 | |
| Certificate of Analysis | Mar 10, 2022 | T107302 |
| Sensitivity | Moisture Sensitive |
|---|---|
| Refractive Index | 1.404 |
| Flash Point(°F) | 122 °F |
| Flash Point(°C) | 50 °C |
| Boil Point(°C) | 145-147°C |
| Molecular Weight | 148.200 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 148.11 Da |
| Monoisotopic Mass | 148.11 Da |
| Topological Polar Surface Area | 27.700 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 70.700 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |