Isopentyl isobutyrate
- CAS NO.：2050-01-3
- Empirical Formula: C9H18O2
- Molecular Weight: 158.24
- MDL number: MFCD00053719
- EINECS: 218-078-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-22 15:01:55
What is Isopentyl isobutyrate?
Chemical properties
colourless liquid with a fruity smell
Chemical properties
3-Methylbutyl-2-methylpropionate has a fruity odor with an undertone reminiscent of apricot and pineapple.
Occurrence
Reported found in banana, feyoa fruit (Feijoa sellowiana), grapes, melon, papaya, corn oil, beer, hop oil, whiskies, white wine, honey, jackfruit, cherimoya and Roman chamomile oil.
The Uses of Isopentyl isobutyrate
Finds limited use in perfumery as a modifier for Amyl phenylacetate and other heavy esters, or as a trace component topnote item. Extensively used in flavor compositions for introduction of light, fruity notes: Apple, Apricot, Banana, Berry, Peach, etc.
Definition
ChEBI: A fatty acid ester obtained by the formal condensation of isoamylol with isobutyric acid.
Preparation
By passing vapors of isobutyl alcohol and isoamyl alcohol over an Ag-activated Cu-MnO catalyst.
Aroma threshold values
Detection: 14 ppb
Taste threshold values
Taste characteristics at 40 ppm: sweet, fruity, green and fatty with a berry nuance.
Properties of Isopentyl isobutyrate
| Melting point: | -73°C (estimate) |
| Boiling point: | 169-171 °C(lit.) |
| Density | 0.856 g/mL at 25 °C(lit.) |
| refractive index | n |
| FEMA | 3507 | 3-METHYLBUTYL 2-METHYLPROPANOATE |
| Flash point: | 129 °F |
| Water Solubility | Insoluble in water |
| form | clear liquid |
| color | Colorless to Almost colorless |
| Odor | at 100.00 %. fruity ethereal tropical green grape cherry unripe banana apple cocoa |
| JECFA Number | 49 |
| Stability: | Stable. Combustible. Incompatible with strong oxidizing agents, strong reducing agents. |
| CAS DataBase Reference | 2050-01-3(CAS DataBase Reference) |
| NIST Chemistry Reference | Iso-amyl iso-butyrate(2050-01-3) |
| EPA Substance Registry System | Isopentyl isobutyrate (2050-01-3) |
Safety information for Isopentyl isobutyrate
| Signal word | Warning |
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H226:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
Computed Descriptors for Isopentyl isobutyrate
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