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4-Methyl-1-Pentanol
| Catalog Number | ACM626891 |
| CAS | 626-89-1 |
| Structure |  |
| IUPAC Name | 4-methylpentan-1-ol |
| Synonyms | Isohexanol |
| Molecular Weight | 102.17 |
| Molecular Formula | C6H14O |
| Canonical SMILES | CC(C)CCCO |
| InChI | InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3 |
| InChI Key | PCWGTDULNUVNBN-UHFFFAOYSA-N |
| Boiling Point | 160-165 °C (lit.) |
| Purity | 96% |
| Solubility | 0.07 M |
| Complexity | 33.2 |
| Covalently-Bonded Unit Count | 1 |
| EC Number | 210-969-3 |
| Exact Mass | 102.104465066g/mol |
| Hazard Statements | H226 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Monoisotopic Mass | 102.104465066g/mol |
| NSC Number | 91492 |
| Refractive Index | 1.414 (lit.) |
| Rotatable Bond Count | 3 |
| Symbol | GHS02 |
| Topological Polar Surface Area | 20.2Ų |
| UNII | X796XFP7D4 |
| X Log P3 | 1.6 |
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