1-Hexanol CAS#111-27-3
Pleasant Natural Aroma Profile: Features a fresh green scent reminiscent of young branches and leaves, complemented by subtle wine, fruity, and fatty notes, making it suitable for fragrance applications.
Excellent Solubility Properties: Easily miscible with ethanol, propylene glycol, and oils, providing good compatibility in various formulation systems.
Naturally Occurring Ingredient: Found naturally in trace amounts in citrus fruits, berries, tea leaves, and various essential oils, supporting its use in natural fragrance formulations.
Versatile Flavor and Fragrance Applications: Widely present in lavender oils, geranium oil, banana, apple, strawberry, and violet leaf oil, offering broad application potential in flavors, fragrances, and personal care products.
1-Hexanol Chemical Properties
| Melting point | -52 °C (lit.) |
| Boiling point | 156-157 °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 widely used as a flavor ingredient and serves as a base material in the preparation of essential oils, such as geranium oil, where it contributes to the top notes of fragrances. It can also be added in trace amounts to violet, osmanthus, magnolia, and ylang-ylang flavor formulations to enhance or introduce a fresh green and tender aroma.
Additionally, 1-Hexanol is used in small quantities in edible coconut flavors, berry flavors, and various fruit flavor formulations. It also functions as a solvent and analytical reagent, while finding applications in the pharmaceutical industry for the preparation of preservatives and sedative agents.
According to China’s GB2760-86 regulations, 1-Hexanol is an approved edible flavoring agent, mainly used in the formulation of coconut and berry flavors. It is also utilized in the production of surfactants, plasticizers, fatty alcohols, and other chemical products, as well as serving as a chromatographic analysis reagent and an intermediate in organic synthesis.
