Product Description of 1-Hexanol (CAS# 111-27-3)
1-Hexanol is a colourless liquid with a boiling point of 157°C and a relative density of 0.814. It is miscible with ethanol, propylene glycol and oils. This substance delivers a fresh green odour resembling young twigs and foliage, complemented by faint vinous, fruity and fatty undertones.
1-Hexanol and its carboxylic acid esters exist naturally in tiny quantities within citrus fruits, berries and other plant materials. They can also be detected in tea leaves, geranium oil, multiple lavender oils, as well as essential oils extracted from banana, apple, strawberry, violet leaf and numerous other botanicals.
1-Hexanol Chemical Properties
| Melting point | -52 °C (lit.) |
| Boiling point | 157 °C (lit.) |
| density | 0.814 g/mL at 25 °C (lit.) |
| vapor density | 4.5 (vs air) |
| vapor pressure | 1 mm Hg ( 25.6 °C) |
| refractive index | n20/D 1.418(lit.) |
| FEMA | 2567 | HEXYL ALCOHOL |
| Fp | 140 °F |
| storage temp. | no restrictions. |
| solubility | ethanol: soluble(lit.) |
| pka | 15.38±0.10(Predicted) |
| form | Liquid |
| color | Clear colorless |
| Relative polarity | 0.559 |
| Odor | Sweet; mild. |
| Odor Threshold | 0.006ppm |
| Odor Type | herbal |
| explosive limit | 1.2-7.7%(V) |
| Water Solubility | 6 g/L (25 ºC) |
| JECFA Number | 91 |
| Merck | 144697 |
| BRN | 969167 |
| Dielectric constant | 13.3（24℃） |
| Stability: | Stable. Substances to be avoided include strong acids, strong oxidizing agents. Combustible. |
| LogP | 1.8 |
| CAS DataBase Reference | 111-27-3(CAS DataBase Reference) |
| NIST Chemistry Reference | 1-Hexanol(111-27-3) |
| EPA Substance Registry System | 1-Hexanol (111-27-3) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22 |
| Safety Statements | 24/25 |
| RIDADR | UN 2282 3/PG 3 |
| WGK Germany | 1 |
| RTECS | MQ4025000 |
| Autoignition Temperature | 559 °F |
| TSCA | Yes |
| HazardClass | 3 |
| PackingGroup | III |
| HS Code | 29051900 |
| Hazardous Substances Data | 111-27-3(Hazardous Substances Data) |
| Toxicity | LD50 oral in rat: 720mg/kg |
Product Application of 1-Hexanol CAS# 111-27-3
1-Hexanol is extensively employed as a flavour base and incorporated into essential oil blends including geranium oil, lending distinctive top-note properties to the aroma. Minute quantities are also added to violet, osmanthus, magnolia and ylang-ylang fragrance compositions to introduce or accentuate a fresh, green and subtle scent profile.
Within food flavouring systems, it is dosed at low concentrations in coconut, berry and diverse fruit flavour formulations. Other applications include its use as a solvent and analytical reagent. In the pharmaceutical sector, it is utilized for manufacturing preservatives and sedative-related products.
Beyond this, it acts as a raw material for producing surfactants, plasticizers and fatty alcohols. It also functions as a reagent for chromatographic analysis and a building block in numerous organic synthesis routes.
