| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2008 | 8 | Yes |
Popular Name: cyclohexane-1,2-diol cyclohexane-1,2-diol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1460-57-7 , 1792-81-0 , 931-17-9 , [1792-81-0]
1,2-Cyclohexanediol (cis- and trans- mixture)
1,2-Cyclohexanediol, 98%, mixture of cis and trans
1,2-Cyclohexanediol, cis + trans
1,2-Cyclohexanediol, cis + trans, 98%
1,2-Cyclohexanediol; 2-Hydroxycyclohexanol
1460-57-7; TRANS-CYCLOHEXANE-12-DIOL; trans-cyclohexane-1,2-diol
1792-81-0; C12313; cis-1,2-Cyclohexanediol; cis-Cyclohexane-1,2-diol
Grandidentol; cis-1,2-Cyclohexanediol; cis-1,2-Dihydroxycyclohexane; cis-Cyclohexane-1,2-diol
| 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) | 0.44 | -1.18 | -4.77 | 2 | 2 | 0 | 40 | 116.16 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 100 | TCI |
| MP | 100-102°C | Fluorochem |
| MP | 102 | TCI |
| MP | 104 | TCI |
| BP | 116 / 13 | TCI |
| BP [°C] | 118 - 120 (p=10 torr) | Acros Organics |
| Boiling_Point | 118-120?/10mm | Alfa-Aesar |
| Boiling_Point | 118-120°/10mm | Alfa-Aesar |
| BP | 120 / 14 | TCI |
| BP | 236 | TCI |
| Melting_Point | 72-76? | Alfa-Aesar |
| Melting_Point | 72-76° | Alfa-Aesar |
| Mp [°C] | 73 - 77 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Mp [°C] | 98 - 101 | Acros Organics |
| Purity | 98% | Fluorochem |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.