Hexyl isobutyrate
Synonym(s):Hexyl-2-methylpropionate
- CAS NO.：2349-07-7
- Empirical Formula: C10H20O2
- Molecular Weight: 172.26
- MDL number: MFCD00027297
- EINECS: 219-075-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:07:02
What is Hexyl isobutyrate?
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
Definition
ChEBI: Hexyl 2-methylpropanoate is a carboxylic ester.
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
Not classified
Properties of Hexyl isobutyrate
| 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℃ |
| FEMA | 3172 | HEXYL ISOBUTYRATE |
| refractive index | n |
| Flash point: | 164 °F |
| storage temp. | Sealed in dry,Room Temperature |
| Odor | at 100.00 %. green fruity apple pear tart grape ripe berry winey peach |
| Water Solubility | 58.21mg/L at 20℃ |
| JECFA Number | 189 |
| 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 for Hexyl isobutyrate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Hexyl isobutyrate
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