| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 8 | No |
Popular Name: Acetonylacetone Acetonylacetone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 110-13-4 , 55717-46-9 , 89071-86-3 , [110-13-4]
| 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) | -0.06 | 3.51 | -6.38 | 0 | 2 | 0 | 34 | 114.144 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 6 | Acros Organics |
| Melting_Point | 6? | Alfa-Aesar |
| Melting_Point | 6° | Alfa-Aesar |
| BP [°C] | 185 - 193 | Acros Organics |
| Boiling_Point | 192-193? | Alfa-Aesar |
| Boiling_Point | 192-193° | Alfa-Aesar |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H331: Toxic if inhaled; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation; H373: May cause damage to organs through prolonged or repeated exposure | Acros Organics |
| P phrase | P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing | Acros Organics |
| P phrase | P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P30 | Acros Organics |
| R phrase | R20/22: Harmful by inhalation and if swallowed. | Acros Organics |
| R phrase | R20/22: Harmful by inhalation and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R48/20/21/22: Harmful : danger of serious damage to health by prolonged exposure through inhalation, in contact with skin and if swallowed. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
