PRODUCT Properties
| Melting point: | −18 °C(lit.) |
| Boiling point: | 307 °C(lit.) |
| Density | 0.859 g/mL at 25 °C(lit.) |
| vapor pressure | 0.015Pa at 20℃ |
| FEMA | 2811 | OCTYL OCTANOATE |
| refractive index | n |
| Flash point: | >230 °F |
| solubility | Practically insoluble in water, soluble in alcohol and oils |
| Odor | Weak, but persistent and sweet-herbaceous, almost tea-like odor |
| biological source | synthetic |
| Odor Type | fruity |
| JECFA Number | 177 |
| Major Application | flavors and fragrances |
| Cosmetics Ingredients Functions | SKIN CONDITIONING - EMOLLIENT |
| InChI | 1S/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3 |
| InChIKey | DJNTZVRUYMHBTD-UHFFFAOYSA-N |
| SMILES | CCCCCCCCOC(=O)CCCCCCC |
| LogP | 7.09 |
| EPA Substance Registry System | Octanoic acid, octyl ester (2306-88-9) |
Description and Uses
Octyl octanoate has a faint, fatty odor reminiscent of green tea with an oily, fruity, sweet, mildly green taste. May be prepared by esterification of octanoic acid with octyl alcohol in the presence of HCl catalyst; or by passing vapors of octanoic acid and hydrogen over a copper chromium oxide catalyst at high temperature (320°C).
FEMA 2811 finds limited use in flavor compositions, mainly in Citrus complexes, Cherry, Grape, Pineapple, Plum and other fruit imitation flavors. The concentration is normally about 0.5 to 2 ppm in the finished product.
Safety
| PPE | Eyeshields, Gloves |
| WGK Germany | - |
| TSCA | TSCA listed |
| Storage Class | 10 - Combustible liquids |
