| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | Yes |
Popular Name: 4'-Methoxyacetophenone 4'-Methoxyacetophenone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 100-06-1 , 3672-47-7 , 6/1/100 , [100-06-1]
1-(4-methoxyphenyl)ethan-1-one
4'-METHOXYACETOPHENONE; [100-06-1]
| 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) | 1.89 | 4.22 | -7.4 | 0 | 2 | 0 | 26 | 150.177 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 2.04 | Bitter DB |
| BP | 152-154°/26mm | Oakwood Chemical |
| Boiling_Point | 258-260? | Alfa-Aesar |
| Boiling_Point | 258-260° | Alfa-Aesar |
| BP [°C] | 260 | Acros Organics |
| MP | 36 - 38 | Enamine Building Blocks |
| Mp [°C] | 36 - 39 | Acros Organics |
| M.P | 36-38 °C | Indofine |
| MP | 36-38° | Oakwood Chemical |
| Melting_Point | 36-40? | Alfa-Aesar |
| Melting_Point | 36-40° | Alfa-Aesar |
| MP | 36...38 | Enamine Building Blocks |
| MP | 38 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | APIChem |
| Purity | 99% | Fluorochem |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation | Acros Organics |
| P phrase | P302+ P352: IF ON SKIN: Wash with plenty of soap and water | Acros Organics |
| P phrase | 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 for several minutes. Remove contact lenses, if present | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/38: Irritating to eyes 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 | XN: Harmful | Acros Organics |
