Isoamyl isobutyrate
ALDRICH/W350702 - ≥98%, FG
Synonym: 3-methylbutyl 2-methylpropanoate; Isopentyl isobutyrate
CAS Number: 2050-01-3
Empirical Formula (Hill Notation): C9H18O2
Molecular Weight: 158.24
EC Number: 218-078-1
MDL Number: MFCD00053719
Linear Formula: (CH3)2CHCH2CH2O2CCH(CH3)2
Product Type: Chemical
| application(s) | flavors and fragrances |
| assay | ≥98% |
| biological source | synthetic |
| bp | 169-171 °C (lit.) |
| density | 0.856 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| grade | FG |
| Halal | |
| Kosher | |
| InChI | 1S/C9H18O2/c1-7(2)5-6-11- |
| InChI key | VFTGLSWXJMRZNB-UHFFFAOYSA |
| organoleptic | green; waxy; fruity; sweet |
| Quality Level | 400  |
| refractive index | n |
| reg. compliance | EU Regulation 1334/2008 & 178/2002 |
| FDA 21 CFR 172.515 | |
| SMILES string | CC(C)CCOC(=O)C(C)C |
| General description: | Isoamyl isobutyrate has been reported to be one of the hop aroma constituents in beer. |
| Packaging: | 1 kg in poly bottle |
| Packaging: | 4 kg in steel drum |
| Packaging: | 9 kg in composite drum |
| Symbol |  GHS02 |
| Signal word | Warning |
| Hazard statements | H226 |
| Risk Statements | 10 |
| Safety Statements | 16 |
| RIDADR | UN 2620 3 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 129.2 °F - closed cup |
| Flash Point(C) | 54 °C - closed cup |
| Purity | ≥98% |
| bp | 169-171 °C (lit.) |
| Density | 0.856 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 3507 |
| UNSPSC | 12164502 |