| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 12 | No |
Popular Name: Ethyl vanillin Ethyl vanillin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 121-32-4 , [121-32-4]
"3-Ethoxy-4-hydroxybenzaldehyde, 99%"
121-32-4; D01086; Ethyl vanillin (NF)
3-Ethoxy-4-hydroxybenzaldehyde
3-Ethoxy-4-hydroxybenzaldehyde 99%
3-Ethoxy-4-hydroxybenzaldehyde, 97%
3-Ethoxy-4-hydroxybenzaldehyde, 98%
| 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) | 1.44 | 2.31 | -8.58 | 1 | 3 | 0 | 47 | 166.176 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.44 | 3.24 | -46.72 | 0 | 3 | -1 | 49 | 165.168 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 285? | Alfa-Aesar |
| Boiling_Point | 285° | Alfa-Aesar |
| MP | 74-77° | Oakwood Chemical |
| Melting_Point | 75-79? | Alfa-Aesar |
| Melting_Point | 75-79° | Alfa-Aesar |
| MP | 76 - 78 | Enamine Building Blocks |
| Mp [°C] | 76 - 79 | Acros Organics |
| MP | 76...78 | Enamine Building Blocks |
| MP | 78 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | APIChem |
| Patent Database Links | EP1552814; EP1574217; EP1705171; EP1747775; EP1762215; EP1857436; EP1964543; EP1964544; US2004076690; US2007207206; US2007218087; US2007231278; US2007232633; WO2006027795; WO2006054314; WO2007110790; WO2007134666 | ChEBI |
| Therapy | flavoring agent | SMDC Pharmakon |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
