Vanillin
- CAS:
- Other names: Vanillin; p-Hydroxy-m-methoxybenzaldehyde; Lioxin; Vanillaldehyde; Vanillic aldehyde; 2-Methoxy-4-formylphenol; 3-Methoxy-4-hydroxybenzaldehyde; 4-Formyl-2-methoxyphenol; 4-Hydroxy-3-methoxybenzaldehyde; 4-Hydroxy-5-methoxybenzaldehyde; Vanilla; m-Anisaldehyde, 4-hydroxy-; Protocatechualdehyde, methyl-; Zimco; 4-Hydroxy-m-anisaldehyde; p-Vanillin; m-Methoxy-p-hydroxybenzaldehyde; Methylprotcatechuic aldehyde; Methylprotocatechuic aldehyde; 3-Methoxy-4-hydroxybenzaldehyde (vanillin); 4-hydroxy-3-methoxybenzaldehyde (vanillin); vanillin (3-methoxy-4-hydroxy- benzaldehyde)
- SMILES: COc1cc(C=O)ccc1O
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 152.15 | 3 | 1 | 1.21 | 46.53 | 2 | 38 | 0.13 | C8H8O3 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| nt0868 | None | Jan. 1, 2023 |
Bar codes
| Plate barcode | Sample barcode |
|---|---|
PAINS
| Identified PAINS |
|---|
| Not checked |
Supramolecules
| Name | log K | SD | pH | T(°C) | Method | Ref |
|---|---|---|---|---|---|---|
| [a-Cyclodextrin](1).[Vanillin] | 1.19 | 25.0 | Kenneth A. Connors 1995 | |||