| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 10 | No |
Popular Name: 3-Phenylpropanal 3-Phenylpropanal
Find On: PubMed — Wikipedia — Google
CAS Numbers: 104-53-0 , [104-53-0]
| 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) | 2.46 | 5.74 | -6.69 | 0 | 1 | 0 | 17 | 134.178 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 42 | Acros Organics |
| Melting_Point | 42? | Alfa-Aesar |
| Melting_Point | 42° | Alfa-Aesar |
| Boiling_Point | 222-223? | Alfa-Aesar |
| Boiling_Point | 222-223° | Alfa-Aesar |
| BP | 223 | TCI |
| BP [°C] | 224 - 226 | Acros Organics |
| Purity | 95% | Fluorochem |
| Purity | 97% | Fluorochem |
| H phrase | H300: Fatal if swallowed | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | 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 and easy to do. Continue rinsing | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system 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 |
| PUBCHEM_PATENT_ID | US5622953 | IBM Patent Data |
| Hazard | XI: Irritant | Acros Organics |
