| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2006 | 9 | Yes |
Popular Name: 4,4-Dimethylcyclohexanone 4,4-Dimethylcyclohexanone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4255-62-3 , [4255-62-3]
"4,4-Dimethylcyclohexanone, 97%"
4,4-Dimethylcyclohexanone, 97%
| 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) | 1.58 | 4.85 | -4.08 | 0 | 1 | 0 | 17 | 126.199 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 41 - 43 | Enamine Building Blocks |
| Melting_Point | 41-43? | Alfa-Aesar |
| Melting_Point | 41-43° | Alfa-Aesar |
| MP | 41...43 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Hazard | F: Highly flammable; XI: Irritant | Acros Organics |
| H phrase | H228: Flammable solid; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P210: Keep away from heat | Acros Organics |
| R phrase | R11: Highly flammable.; R36: Irritating to eyes. | Acros Organics |
