| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 12 | No |
Popular Name: 4-TERT-BUTYLBENZALDEHYDE 4-TERT-BUTYLBENZALDEHYDE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 939-97-9 , [939-97-9]
| 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) | 3.43 | 2.76 | -6.02 | 0 | 1 | 0 | 17 | 162.232 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 244-246? | Alfa-Aesar |
| Boiling_Point | 244-246° | Alfa-Aesar |
| BP | 246 | TCI |
| BP [°C] | 249 | Acros Organics |
| Purity | 90% | Fluorochem |
| H phrase | H317: May cause an allergic skin reaction | Acros Organics |
| H phrase | H317: May cause an allergic skin reaction; H410: Very toxic to aquatic life with long lasting effects | Acros Organics |
| P phrase | P280: Wear eye protection/face protection | Acros Organics |
| P phrase | P280: Wear eye protection/face protection; P273: Avoid release to the environment | Acros Organics |
| R phrase | R43: May cause sensitisation by skin contact. | Acros Organics |
| R phrase | R43: May cause sensitisation by skin contact.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
| S phrase | S24: Avoid contact with skin. | Acros Organics |
| S phrase | S24: Avoid contact with skin.; S37: Wear suitable gloves.; S61: Avoid release to the environment. Refer to special instructions / safety data sheets. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Hazard | XI: Irritant; N: Dangerous for the environment | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.