Isobutyl isovalerate
Synonym(s):2-Methylpropyl 3-methylbutyrate;Isobutyl 3-methyl butyrate
- CAS NO.：589-59-3
- Empirical Formula: C9H18O2
- Molecular Weight: 158.24
- MDL number: MFCD00048349
- EINECS: 209-653-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-12-17 09:49:23
What is Isobutyl isovalerate?
Description
2-Methylpropy 1-3-methylbutyrate has an aroma reminiscent of apple/raspberry. May be prepared by oxidation of the corresponding ketone.
Chemical properties
2-Methylpropyl-3-methylbutyrate has an aroma reminiscent of apple and raspberry
Occurrence
Reported found in the oil from fruits of Xanthoxylum piperitum and in the oil of Elsholtzia ciliata. Also reported found in banana, white wine, fig, jackfruit, lamb’s lettuce and smaller galanga (Alpinium officinarum Hance).
The Uses of Isobutyl isovalerate
Flavoring and manufacture of fruit essences.
Preparation
By oxidation of the corresponding ketone.
Definition
ChEBI: 2-Methylpropyl 3-methylbutanoate is a fatty acid ester.
Taste threshold values
Taste characteristics at 20 ppm: sweet, green, fruity, banana with fresh nuances.
Properties of Isobutyl isovalerate
| Melting point: | -92.8°C (estimate) |
| Boiling point: | 168 °C |
| Density | 0.853 g/mL at 20 °C(lit.) |
| refractive index | n |
| FEMA | 3369 | 2-METHYLPROPYL 3-METHYLBUTYRATE |
| Flash point: | 57 °C |
| storage temp. | Sealed in dry,Room Temperature |
| form | clear liquid |
| color | Colorless to Almost colorless |
| Odor | at 100.00 %. sweet fruity apple raspberry green banana |
| Odor Threshold | 0.0052ppm |
| JECFA Number | 203 |
| Merck | 14,5146 |
| CAS DataBase Reference | 589-59-3(CAS DataBase Reference) |
| NIST Chemistry Reference | Iso-butyl isovalerate(589-59-3) |
| EPA Substance Registry System | Butanoic acid, 3-methyl-, 2-methylpropyl ester (589-59-3) |
Safety information for Isobutyl isovalerate
| Signal word | Warning |
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
Computed Descriptors for Isobutyl isovalerate
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