Isobutyl butyrate
ALDRICH/W218707 - ≥98%, FCC, FG
Synonym: 2-Methylpropyl butanoate; 2-Methylpropyl butyrate; Isobutyl butanoate; NSC 406938
CAS Number: 539-90-2
Empirical Formula (Hill Notation): C8H16O2
Molecular Weight: 144.21
EC Number: 208-729-8
MDL Number: MFCD00027134
Linear Formula: CH3CH2CH2CO2CH2CH(CH3)2
Product Type: Chemical
| agency | meets purity specifications of JECFA |
| application(s) | flavors and fragrances |
| assay | ≥98% |
| biological source | synthetic |
| bp | 157-158 °C (lit.) |
| density | 0.861 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| grade | FG |
| Halal | |
| Kosher | |
| InChI | 1S/C8H16O2/c1-4-5-8(9)10- |
| InChI key | RGFNRWTWDWVHDD-UHFFFAOYSA |
| organoleptic | berry; fruity; sweet |
| Quality Level | 300  |
| 400 |
|
| refractive index | n |
| reg. compliance | EU Regulation 1334/2008 & 178/2002 |
| FCC | |
| FDA 21 CFR 117 | |
| FDA 21 CFR 172.515 | |
| SMILES string | CCCC(=O)OCC(C)C |
| vapor density | 5 (vs air) |
| General description: | Isobutyl butyrate is an aliphatic ester that can be used as a food flavoring agent. It is one of the volatile compounds produced in ripening bananas. |
| Packaging: | 1 kg in glass bottle |
| Packaging: | 9 kg in steel drum |
| Symbol |  GHS02 |
| Signal word | Warning |
| Hazard statements | H226 - H412 |
| Precautionary statements | P210 - P273 |
| Hazard Codes | N |
| Risk Statements | 10-50/53 |
| Safety Statements | 16-27-36/37/39-60-61 |
| RIDADR | UN 3272 3 / PGIII |
| WGK Germany | WGK 2 |
| Flash Point(F) | 114.8 °F - closed cup |
| Flash Point(C) | 46 °C - closed cup |
| Purity | ≥98% |
| bp | 157-158 °C (lit.) |
| Density | 0.861 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 2187 |
| UNSPSC | 12164502 |