| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 8 | Yes |
Popular Name: 2-Methylcyclohexanol 2-Methylcyclohexanol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 25639-42-3 , 583-59-5 , 7072-00-6 , 7443-52-9 , 7443-70-1 , 95-48-7 , [25639-42-3] , [583-59-5]
"2-Methylcyclohexanol, 99% [mixture of cis and trans]"
2-methyl-cyclohexanol; CPD-10085
2-Methylcyclohexanol (cis- and trans- mixture)
2-Methylcyclohexanol, 99%, mixture of cis and trans
2-Methylcyclohexanol, cis + trans
| 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) | 1.83 | 2.19 | -2.1 | 1 | 1 | 0 | 20 | 114.188 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 21? | Alfa-Aesar |
| Melting_Point | 21° | Alfa-Aesar |
| Mp [°C] | 38 | Acros Organics |
| BP [°C] | 163 - 166 | Acros Organics |
| Boiling_Point | 163-166? | Alfa-Aesar |
| Boiling_Point | 163-166° | Alfa-Aesar |
| BP | 165 | TCI |
| BP | 167 | TCI |
| Purity | 95% | Fluorochem |
| H phrase | H332: Harmful if inhaled | Acros Organics |
| H phrase | H332: Harmful if inhaled; H226: Flammable liquid and vapor | Acros Organics |
| P phrase | P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing | Acros Organics |
| P phrase | P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
| R phrase | R20: Harmful by inhalation. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.