| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 10 | Yes |
Popular Name: 1,4-Benzenedimethanol 1,4-Benzenedimethanol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 105-08-8 , 589-29-7 , [589-29-7]
| 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) | 0.61 | -0.92 | -9.01 | 2 | 2 | 0 | 40 | 138.166 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 116 - 119 | Acros Organics |
| Melting_Point | 117-121? | Alfa-Aesar |
| Melting_Point | 117-121° | Alfa-Aesar |
| MP | 118 | TCI |
| BP [°C] | 138 - 143 (p=1 torr) | Acros Organics |
| Boiling_Point | 138-143?/1mm | Alfa-Aesar |
| Boiling_Point | 138-143°/1mm | Alfa-Aesar |
| Purity | 95% | Fluorochem |
| Purity | 98% | APIChem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H332: Harmful if inhaled | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing | Acros Organics |
| R phrase | R20/22: Harmful by inhalation and if swallowed. | Acros Organics |
| S phrase | S7: Keep container tightly closed. | Acros Organics |
| S phrase | S7: Keep container tightly closed.; S9: Keep container in a well-ventilated place.; S23: Do not breathe gas/fumes/vapour/spray. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
