| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 8 | No |
Popular Name: 1,3-Cyclohexanedione 1,3-Cyclohexanedione
1,3-Cyclohexanedione [for HPLC Labeling]
1,3-Cyclohexanedione, 97+%, may cont. up to 1% NaCl
1,3-Cyclohexanedione; 504-02-9; C01066; Cyclohexane-1,3-dione; Dihydroresorcinol
504-02-9; CYCLOHEXANE-13-DIONE; cyclohexane-1,3-dione
| 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) | 0.57 | 2.97 | -41.82 | 0 | 2 | -1 | 40 | 111.12 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.17 | 1.93 | -10.88 | 0 | 2 | 0 | 34 | 112.128 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 101-105? | Alfa-Aesar |
| Melting_Point | 101-105° | Alfa-Aesar |
| MP | 103 - 105 | Enamine Building Blocks |
| MP | 103...105 | Enamine Building Blocks |
| MP | 106 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 99% | Fluorochem |
| Mp [°C] | >101 | Acros Organics |
| Patent Database Links | EP1632485; US2005054534; US2005080104; US2005272136 | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
