Products Description of 1-Hexanol CAS#111-27-3
1-Hexanol is a colorless liquid with a boiling point of 157℃ and a relative density of 0.819. It is readily miscible with ethanol, propylene glycol, and oils, offering excellent compatibility in various formulation systems. It possesses a fresh green aroma reminiscent of young branches and leaves, along with subtle notes of wine, fruit, and fatty nuances.
Naturally occurring in trace amounts, 1-Hexanol and its carboxylic acid esters can be found in citrus fruits, berries, and other natural sources. It is also present in tea leaves, geranium oil, various lavender oils, banana, apple, strawberry, violet leaf oil, and many other essential oils, making it a valuable ingredient for flavor and fragrance applications.
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.
