| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2006 | 10 | No |
Popular Name: 5,5-Dimethylhexane-2,4-dione 5,5-Dimethylhexane-2,4-dione
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2,2-Dimethyl-3,5-hexanedione , 4/2/7307 12:00:00 AM , 7307-04-2 , 7307-4-2 , [7307-04-2]
| 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) | 1.00 | 6.08 | -13.8 | 0 | 2 | 0 | 34 | 142.198 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 165 - 168 (p=740 torr) | Acros Organics |
| Boiling_Point | 60?/10mm | Alfa-Aesar |
| Boiling_Point | 60°/10mm | Alfa-Aesar |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.