1. Primary Information
| English name: | 4-Hydroxyhexenal |
| CAS No.: | 17427-21-3 |
| Molecular formula: | C6H10O2 |
| Molecular weight: | 114.14 g/mol |
| SMILES: | CCC(C=CC=O)O |
| Structural class: | |
| Other identifiers: |
4-HHE cpd 4-hydroxy-2-hexenal 4-hydroxy-2-hexenal, (E)-isomer t-4HH trans-4-hydroxy-2-hexenal |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | >98% | 9504 | -80℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(E)-4-hydroxyhex-2-enal
4.2 InChI
InChI=1S/C6H10O2/c1-2-6(8)4-3-5-7/h3-6,8H,2H2,1H3/b4-3+
4.3 InChIKey
JYTUBIHWMKQZRB-ONEGZZNKSA-N
4.4 Canonical SMILES
CCC(C=CC=O)O
4.5 Isomeric SMILES
CCC(/C=C/C=O)O
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
