| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 9 | Yes |
Popular Name: 2,4-Dimethylphenol 2,4-Dimethylphenol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 105-67-9 , 93951-75-8 , [105-67-9]
| 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) | 2.75 | 3.06 | -3.67 | 1 | 1 | 0 | 20 | 122.167 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 21 - 23 | Acros Organics |
| Melting_Point | 21-23? | Alfa-Aesar |
| Melting_Point | 21-23° | Alfa-Aesar |
| Boiling_Point | 210-212? | Alfa-Aesar |
| Boiling_Point | 210-212° | Alfa-Aesar |
| BP [°C] | 211 | Acros Organics |
| PUBCHEM_PATENT_ID | EP0532893A2; EP0532893A3; EP1020478A1; EP1032433A2; WO1999022635A2; WO1999059431A1; WO2000016913A1; WO2000035559A2; WO2000066650A2 | IBM Patent Data |
| H phrase | H411: Toxic to aquatic life with long lasting effects | Acros Organics |
| H phrase | H411: Toxic to aquatic life with long lasting effects; H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage; H311: Toxic in contact with skin | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | 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: Gently wash with plenty of soap and water; P301 + P330 + P331: IF SWALLOWED: rinse | 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 |
No pre-computed analogs available. Try a structural similarity search.