| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 9 | No |
Popular Name: 2-Methyl-1,3-cyclohexanedione 2-Methyl-1,3-cyclohexanedione
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1193-55-1 , [1193-55-1]
"2-Methyl-1,3-cyclohexanedione, 98%"
1,3-dimethylcycloadipic ketone
2-Methyl-1,3-cyclohexanedione, 98+%
| 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) | 1.12 | 3.78 | -38.81 | 0 | 2 | -1 | 40 | 125.147 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.31 | 2.62 | -10.49 | 0 | 2 | 0 | 34 | 126.155 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 204-208? | Alfa-Aesar |
| Melting_Point | 204-208° | Alfa-Aesar |
| MP | 204° | Oakwood Chemical |
| Purity | 98% | Fluorochem |
| Mp [°C] | >204 | Acros Organics |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| 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 | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
