HEPTYL ISOBUTYRATE
- CAS NO.：2349-13-5
- Empirical Formula: C11H22O2
- Molecular Weight: 186.29
- MDL number: MFCD00129704
- EINECS: 219-076-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:08:52
What is HEPTYL ISOBUTYRATE?
Description
Heptyl isobutyrate has a characteristic woody odor with distinctly herbaceous, sweet undernotes and a sweet herbaceous, fruity, and slightly warm, floral taste. Synthesis: By esterification of n-heptanol with isobutyric acid.
Chemical properties
Heptyl isobutyrate has a characteristic woody odor with distinctly herbaceous, sweet undernotes and a sweet, herba- ceous, fruity and slightly warm, foral taste.
Occurrence
Reported found in the essential oil of hops
The Uses of HEPTYL ISOBUTYRATE
Heptyl Isobutyrate is a synthetic flavoring agent that is a stable, colorless liquid of fruity odor. it should be stored in glass or tin con- tainers. it is used in flavors for pineapple, pear, and orange with applications in beverages, ice cream, candy, and baked goods at 1–3 ppm.
Preparation
By esterifcation of n-heptanol with isobutyric acid.
Definition
ChEBI: Heptyl 2-methylpropanoate is a carboxylic ester.
Aroma threshold values
Detection: 12 to 13 ppb.
Properties of HEPTYL ISOBUTYRATE
| Melting point: | -57.5°C (estimate) |
| Boiling point: | 212 °C(lit.) |
| Density | 0.863 g/mL at 25 °C(lit.) |
| refractive index | n |
| FEMA | 2550 | HEPTYL ISOBUTYRATE |
| Flash point: | 183 °F |
| Odor | at 100.00 %. sweet green fruity warm floral apple cherry apricot |
| JECFA Number | 190 |
| EPA Substance Registry System | Propanoic acid, 2-methyl-, heptyl ester (2349-13-5) |
Safety information for HEPTYL ISOBUTYRATE
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
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 HEPTYL ISOBUTYRATE
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