Vanillin isobutyrate
ALDRICH/W375403 - ≥98%, FG
Synonym: (4-
CAS Number: 20665-85-4
Empirical Formula (Hill Notation): C12H14O4
Molecular Weight: 222.24
EC Number: 243-956-6
MDL Number: MFCD00169858
Linear Formula: (CH3)2CHCO2C6H3-2-(OCH3)-4-(CHO)
Product Type: Chemical
| agency | meets purity specifications of JECFA |
| application(s) | flavors and fragrances |
| assay | ≥98% |
| biological source | synthetic |
| density | 1.12 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| grade | FG |
| Halal | |
| Kosher | |
| InChI | 1S/C12H14O4/c1-8(2)12(14) |
| InChI key | BGKAKRUFBSTALK-UHFFFAOYSA |
| organoleptic | sweet; vanilla |
| Quality Level | 300 ![]() |
400 ![]() |
|
| refractive index | n |
| reg. compliance | EU Regulation 1334/2008 & 178/2002 |
| SMILES string | COc1cc(C=O)ccc1OC(=O)C(C) |
| Application: |
|
| Biochem/physiol Actions: | Odor at 1.0% |
| Biochem/physiol Actions: | Taste at 5 ppm |
| Packaging: | Packaged in glass bottles |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | ≥98% |
| Density | 1.12 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 3754 |
| UNSPSC | 12164502 |

