1. Primary Information
| English name: | 1-Hexanol |
| CAS No.: | 111-27-3 |
| Molecular formula: | C6H14O |
| Molecular weight: | 102.17 g/mol |
| SMILES: | CCCCCCO |
| Structural class: | |
| Other identifiers: |
1-hexanol 1-hexanol, aluminum salt 1-hexyl alcohol n-hexanol |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1ml | GC≥99% | 304 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
hexan-1-ol
4.2 InChI
InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
4.3 InChIKey
ZSIAUFGUXNUGDI-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCCCO
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
