3-Phenylpropyl isobutyrate
ALDRICH/W289302 - ≥98%, FG
Synonym: 3-Phenylpropyl 2-methylpropanoate; Hydrocinnamyl isobutyrate
CAS Number: 103-58-2
Empirical Formula (Hill Notation): C13H18O2
Molecular Weight: 206.28
EC Number: 203-125-0
MDL Number: MFCD00082227
Linear Formula: (CH3)2CHCO2(CH2)3C6H5
Product Type: Chemical
| agency | meets purity specifications of JECFA |
| application(s) | flavors and fragrances |
| assay | ≥98% |
| biological source | synthetic |
| bp | 282 °C (lit.) |
| density | 0.979 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| grade | FG |
| Halal | |
| Kosher | |
| InChI | 1S/C13H18O2/c1-11(2)13(14 |
| InChI key | VBTAKMZSMFMLGT-UHFFFAOYSA |
| organoleptic | balsam; fruity; sweet |
| Quality Level | 300  |
| 400 |
|
| refractive index | n |
| reg. compliance | EU Regulation 1334/2008 & 178/2002 |
| FDA 21 CFR 172.515 | |
| SMILES string | CC(C)C(=O)OCCCc1ccccc1 |
| General description: | 3-Phenylpropyl isobutyrate belongs to the cinnamyl phenylpropyl group of fragrance materials. It is the key volatile constituent of Roman camomile essential oil. |
| Packaging: | 1 kg in glass bottle |
| Packaging: | 10, 25 kg in composite drum |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 2 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | ≥98% |
| bp | 282 °C (lit.) |
| Density | 0.979 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 2893 |
| UNSPSC | 12164502 |