| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 12 | No |
Popular Name: 4-Allyloxybenzaldehyde 4-Allyloxybenzaldehyde
Find On: PubMed — Wikipedia — Google
CAS Number: 40663-68-1
| 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) | 2.43 | 2.1 | -7.07 | 0 | 2 | 0 | 26 | 162.188 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 142°/10 Torr | Matrix Scientific |
| BP [°C] | 150 - 152 (p=18 torr) | Acros Organics |
| Boiling_Point | 150-152?/18mm | Alfa-Aesar |
| Boiling_Point | 150-152°/18mm | Alfa-Aesar |
| MP | 179° | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0513387A1; EP0934937A1; US5643932; US5677319; US6080764 | IBM Patent Data |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P302+ P352: IF ON SKIN: Wash with plenty of soap and water | Acros Organics |
| P phrase | P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present | Acros Organics |
| R phrase | R36/38: Irritating to eyes and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.