| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 14 | Yes |
Popular Name: 2-Benzylphenol 2-Benzylphenol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10403-73-3 , 28994-41-4
| 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) | 2.39 | 8.13 | -7.85 | 0 | 1 | 0 | 17 | 184.238 | 2 | ↓ |
| Ref Reference (pH 7) | 3.84 | 6.2 | -4.8 | 1 | 1 | 0 | 20 | 184.238 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 310-312? | Alfa-Aesar |
| Boiling_Point | 310-312° | Alfa-Aesar |
| BP [°C] | 312 | Acros Organics |
| Melting_Point | 50-54? | Alfa-Aesar |
| Melting_Point | 50-54° | Alfa-Aesar |
| Mp [°C] | 51 - 55 | Acros Organics |
| MP | 53 - 55 | Enamine Building Blocks |
| MP | 53...55 | Enamine Building Blocks |
| MP | 54 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | APIChem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; 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 | 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 | US5661106; US5840722; US6030975 | IBM Patent Data |
| Hazard | XI: Irritant | Acros Organics |
