| Hexyl isobutyrate Basic information |
| Product Name: | Hexyl isobutyrate |
| Synonyms: | HEXYL ISOBUTYRATE;HEXYL 2-METHYLPROPANOATE;FEMA 3172;n-hexylisobutanoate;Propanoicacid,2-methyl-,hexylester;HEXYL ISOBUTYRATE 98+%;Hexylisobutyrat;exyl isobutyrate |
| CAS: | 2349-07-7 |
| MF: | C10H20O2 |
| MW: | 172.26 |
| EINECS: | 219-075-8 |
| Product Categories: | Alphabetical Listings;Flavors and Fragrances;G-H |
| Mol File: | 2349-07-7.mol |
| Hexyl isobutyrate Chemical Properties |
| Melting point | -78°C (estimate) |
| Boiling point | 202.6°C (estimate) |
| density | 0.86 g/mL at 25 °C(lit.) |
| vapor pressure | 4.39hPa at 20℃ |
| refractive index | n |
| FEMA | 3172 | HEXYL ISOBUTYRATE |
| Fp | 164 °F |
| storage temp. | Sealed in dry,Room Temperature |
| Water Solubility | 58.21mg/L at 20℃ |
| JECFA Number | 189 |
| LogP | 4.668 at 25℃ |
| CAS DataBase Reference | 2349-07-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Propanoic acid, 2-methyl-, hexyl ester(2349-07-7) |
| EPA Substance Registry System | Hexyl isobutyrate (2349-07-7) |
| Safety Information |
| WGK Germany | 2 |
| RTECS | NQ4695000 |
| MSDS Information |
| Provider | Language |
|---|---|
| SigmaAldrich | English |
| Hexyl isobutyrate Usage And Synthesis |
| Description | Hexyl isobutyrate has a powerful, somewhat harsh fruity aroma. May be synthesized by direct esterification of n-hexanol with isobutyric acid. |
| Chemical Properties | Hexyl isobutyrate has a powerful, somewhat harsh, fruity aroma. |
| Occurrence | Reported found in lavender oil, hop oil, sherry, apple, apricot, grapes, beer, white and sparkling wine, sherry, yellow passion fruit, plum, starfruit, quince, cherimoya, spineless monkey orange and Chinese quince peel. |
| Preparation | By direct esterification of n-hexanol with isobutyric in sherry |
| Aroma threshold values | Detection: 6 to 26 ppb |
| Taste threshold values | Taste characteristics at 10 ppm: green, sweet, fruity, apple- and pear-like with banana and melon nuances |
| Flammability and Explosibility | Notclassified |
| Hexyl isobutyrate Preparation Products And Raw materials |
| Raw materials | Isobutyric acid-->Hexyl methacrylate-->1-Hexanol |
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