| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | Yes |
Popular Name: Vanillyl alcohol Vanillyl alcohol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 498-00-0 , [498-00-0]
"4-Hydroxy-3-methoxybenzyl alcohol, 98%"
4-(hydroxymethyl)-2-methoxyphenol
4-Hydroxy-3-methoxybenzenemethanol
4-Hydroxy-3-methoxybenzyl alcohol
4-Hydroxy-3-methoxybenzyl alcohol, 98+%
4-Hydroxy-3-methoxybenzyl alcohol, 99%
4-Hydroxy-3-methoxybenzyl alcohol; bmse010010
4-Hydroxy-3-MethoxybenzylAlcohol
498-00-0; VANILLYL-ALCOHOL; vanillyl alcohol
CHEBI:15303; CHEBI:1843; CHEBI:27279
Vanillyl Alcohol [498-00-0]; (4-Hydroxy-3-methoxybenzyl alcohol)
| 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) | 0.61 | -1.05 | -7.85 | 2 | 3 | 0 | 50 | 154.165 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 110-117 °C(lit.) | Indofine |
| MP | 111-114o C | Indofine |
| Mp [°C] | 112 - 115 | Acros Organics |
| MP | 113 - 115 | Enamine Building Blocks |
| Melting_Point | 113-115? | Alfa-Aesar |
| Melting_Point | 113-115° | Alfa-Aesar |
| MP | 113...115 | Enamine Building Blocks |
| MP | 114 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| UniProt Database Links | ADHN_RHOER | ChEBI |
| Patent Database Links | EP1693057; US2003070188; WO2007126430; WO2008124749 | ChEBI |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
