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Cis-3-Hexen-1-Ol
Catalog NumberACM928961
CAS Number928-96-1
CategoryAlcohol-functionalized Pheromone
| Description | Liquid;Liquid;colourless liquid with a powerful, grassy-green odour |
| Synonyms | Leaf alcohol |
| IUPAC Name | (Z)-Hex-3-en-1-ol |
| Molecular Weight | 100.16 |
| Molecular Formula | C6H12O |
| Canonical SMILES | CCC=CCCO |
| InChI | InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3- |
| InChI Key | UFLHIIWVXFIJGU-ARJAWSKDSA-N |
| Boiling Point | 156-157 °C |
| Melting Point | 22.55 °C |
| Flash Point | 112 °F |
| Purity | 99%+ |
| Density | 0.848 g/mL at 25 °C(lit.) |
| Solubility | In water, 16,000 mg/L at 25 °C (est);Very soluble in ethanol and ether;Soluble in alcohol, propylene glycol, fixed oils;soluble in alcohol, propylene glycol and most fixed oils |
| Appearance | Colorless liquid |
| Shelf Life | Stable under recommended storage conditions. |
| Color Form | Colorless liquid |
| Complexity | 48 |
| Covalently-Bonded Unit Count | 1 |
| Dissociation Constants | pKa: 16.8 at 25 °C (est) |
| EC Number | 213-192-8 |
| Exact Mass | 100.088815002 |
| Hazard Statements | H225-H304-H315-H319-H335 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Log P | log Kow = 1.61 (est) |
| Monoisotopic Mass | 100.088815002 |
| NSC Number | 74451 |
| Odor | Powerful grassy-green odor;Strong odor resembling that of isoamyl alcohol, approaching the odor of green leaves when highly dilute;Characteristic odor of freshly cut grass;Green, grassy, melon rind-like with a pungent freshness |
| Refractive Index | n20/D 1.44(lit.) |
| Rotatable Bond Count | 3 |
| Symbol | GHS02 |
| Topological Polar Surface Area | 20.2 Ų |
| UNII | V14F8G75P4 |
| Vapor Pressure | 0.94 mm Hg at 25 °C (est) |
| X Log P3 | 1.3 |
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