| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 9 | Yes |
Popular Name: 2,6-Dimethylphenol 2,6-Dimethylphenol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 285132-85-6 , 576-26-1 , [576-26-1]
| 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) | 2.52 | 3.14 | -3.66 | 1 | 1 | 0 | 20 | 122.167 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 203 | Acros Organics |
| Boiling_Point | 203? | Alfa-Aesar |
| Boiling_Point | 203° | Alfa-Aesar |
| Melting_Point | 44-48? | Alfa-Aesar |
| Melting_Point | 44-48° | Alfa-Aesar |
| Mp [°C] | 45 - 48 | Acros Organics |
| MP | 46 | TCI |
| MP | 46 - 48 | Enamine Building Blocks |
| MP | 46...48 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | APIChem |
| Purity | 98% | Fluorochem |
| H phrase | H311: Toxic in contact with skin | Acros Organics |
| H phrase | H311: Toxic in contact with skin; H314: Causes severe skin burns and eye damage; H301: Toxic if swallowed; H318: Causes serious eye damage; H411: Toxic to aquatic life with long lasting effects | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: G | Acros Organics |
| R phrase | R24/25: Toxic in contact with skin and if swallowed. | Acros Organics |
| R phrase | R24/25: Toxic in contact with skin and if swallowed.; R34: Causes burns.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| Hazard | T: Toxic; N: Dangerous for the environment | Acros Organics |
| Warnings | TOXIC | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.