Isobutyl butyrate, 98%
Isobutyl butyrate, 98% (CAS 539-90-2) supplier Zemixal: C8H16O2, COA and SDS with every lot, worldwide shipping. Packs from 500 g.
About Isobutyl butyrate, 98%
Zemixal supplies Isobutyl butyrate, 98% within its industrial & Specialty Chemicals portfolio. For your records (Synthesis), the material is defined by CAS 539-90-2, formula C8H16O2 and molar mass 144.21 g/mol. It is described as liquid.
Common uses in the lab and plant
- Flavour formulation
- Fragrance compounding
- Aroma research
- Food & flavour applications
Safe handling
Reported physical data: boiling point 157-158 °C and density 0.861 g/mL at 25 °C. Hazard communication follows GHS (Warning: H226). Our SDS lists exposure controls and first-aid measures. For transport it ships as UN UN 3272.
Order it in 500 g, 1 kg, 5 kg and 4 x 25 kg packs or ask for a bulk quotation. Each lot travels with a batch certificate of analysis and a 16-section SDS. Request pricing online and we confirm availability, documentation and freight to your country.
Typical uses
- Flavour formulation
- Fragrance compounding
- Aroma research
- Food & flavour applications
Applications
Specifications and identifiers
| Product name | Isobutyl butyrate, 98% |
|---|---|
| Catalogue number | ZX-018284 |
| CAS number | 539-90-2 |
| IUPAC name | 2-methylpropyl butanoate |
| Molecular formula | C8H16O2 |
| Molar mass | 144.21 g/mol |
| Exact mass | 144.115 |
| Grade | Synthesis |
| Purity / assay | 98% |
| Physical form | Liquid |
| Appearance | Liquid |
| Boiling point | 157-158 °C |
| Density | 0.861 g/mL at 25 °C |
| XLogP3 | 2.3 |
| H-bond donors / acceptors | 0 / 2 |
| Topological polar surface area | 26.3 Ų |
| HS code | 29420090 |
| UN number | UN 3272 |
| InChIKey | RGFNRWTWDWVHDD-UHFFFAOYSA-N |
| SMILES | CCCC(=O)OCC(C)C |
| PubChem CID | 10885 |
| Synonyms | Isobutyl n-butyrate, Butanoic acid, 2-methylpropyl ester, Isobutyl butyrate (natural), iso-Butyl n-butyrate, 4-02-00-00790 (Beilstein Handbook Reference), Isobutyl butanoic acid, Isobutyl N-butyric acid, Butyrate, isobutyl ester, Butanoate, isobutyl ester, 2-Methylpropyl butyric acid, 2-Methylpropyl butanoic acid, Butanoate, methyl propyl ester |
Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.
Safety and GHS hazards
Signal word Warning
- H226Flammable liquid and vapor
Precautionary statements P210, P233, P240, P241, P242, P243, P280, P303 + P361 + P353, P370 + P378, P403 + P235, P501
Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.
Pack sizes
| 500 g | Quoted on request | |
| 1 kg | Quoted on request | |
| 5 kg | Quoted on request | |
| 4 x 25 kg | Quoted on request |
Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.
Questions about Isobutyl butyrate, 98%
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