4-hydroxy-3-methoxybenzaldehyde; vanillin | |
Links: | 🌍 Wikipedia, 📏 NIST, ⚗️ ChemSynthesis, 📖 PubMed, 📖Houben-Weyl, 2. Band (Vanillin); p. 58, 94, 129, 310, 554, 558, 609, 691, 967, 986, |
MeSH: | Anticonvulsants; Antimutagenic Agents; Antioxidants; Central Nervous System Agents; Protective Agents |
CAS RN: | [121-33-5] |
Formula: | C8H8O3; 152.15 g/mol |
InChiKey: | MWOOGOJBHIARFG-UHFFFAOYSA-N |
SMILES: | COc1cc(C=O)ccc1O |
Odor: | main fragrance of vanilla |
Toxicology (LD50): | 3 000 mg/Kg (rat, or); 1 500 mg/Kg(rat, sc); 2 600 mg/Kg(rat, sc) |
Density: | 1.060 g/mL |
Molar volume: | 143.5 mL/mol |
Melting point: | 81 °C |
Boiling point: | 285 °C |
Antoine equation P(Torr) vs T(°C) | |
Log10 partition octanol / water: | 1.31 |