| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 14 | Yes |
Popular Name: Ethyl vanillate Ethyl vanillate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 617-05-0 , [617-05-0]
Ethyl 4-hydroxy-3-methoxybenzoate
Ethyl Vanillate [617-05-0]; (Vanillic acid ethylester, Ethyl 4-hydroxy-3-methoxybenzoate)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.82 | 3.23 | -7.64 | 1 | 4 | 0 | 56 | 196.202 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 293 | TCI |
| Boiling_Point | 293? | Alfa-Aesar |
| Boiling_Point | 293° | Alfa-Aesar |
| Melting_Point | 42-46? | Alfa-Aesar |
| Melting_Point | 42-46° | Alfa-Aesar |
| MP | 43 | TCI |
| MP | 43-45o C | Indofine |
| MP | 43-45°C | Indofine |
| Purity | 95% | Fluorochem |
| SOLUBILITY | Soluble in Chloroform | Indofine |
