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| | Isopentyl isobutyrate Basic information |
| | Isopentyl isobutyrate Chemical Properties |
| Melting point | -73°C (estimate) | | Boiling point | 169-171 °C(lit.) | | density | 0.856 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.406(lit.) | | FEMA | 3507 | 3-METHYLBUTYL 2-METHYLPROPANOATE | | Fp | 129 °F | | storage temp. | Store at room temperature | | form | clear liquid | | color | Colorless to Almost colorless | | Odor | at 100.00 %. fruity ethereal tropical green grape cherry unripe banana apple cocoa | | Odor Type | fruity | | biological source | synthetic | | Water Solubility | Insoluble in water, miscible with alcohol, solubie in essential oils, perfume and flavor materials. | | JECFA Number | 49 | | Stability: | Stable. Combustible. Incompatible with strong oxidizing agents, strong reducing agents. | | Major Application | flavors and fragrances | | Cosmetics Ingredients Functions | PERFUMING | | InChI | 1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3 | | InChIKey | VFTGLSWXJMRZNB-UHFFFAOYSA-N | | SMILES | CC(C)CCOC(=O)C(C)C | | LogP | 3.17 | | 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) |
| Risk Statements | 10 | | Safety Statements | 16 | | RIDADR | UN 2620 3/PG 3 | | WGK Germany | 3 | | TSCA | TSCA listed | | HazardClass | 3 | | PackingGroup | III | | HS Code | 29159000 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Flam. Liq. 3 |
| | Isopentyl isobutyrate Usage And Synthesis |
| 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. | | Uses |
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.
| | Preparation | By passing vapors of isobutyl alcohol and isoamyl alcohol over an Ag-activated Cu-MnO catalyst. | | Definition | ChEBI: A fatty acid ester obtained by the formal condensation of isoamylol with isobutyric acid. | | Aroma threshold values | Detection: 14 ppb | | Taste threshold values | Taste characteristics at 40 ppm: sweet, fruity, green and fatty with a berry nuance. |
| | Isopentyl isobutyrate Preparation Products And Raw materials |
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