| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 10 | Yes |
Popular Name: 4'-Hydroxyacetophenone 4'-Hydroxyacetophenone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 70-70-2 , 783267-33-4 , 80753-90-8 , 99-93-4 , [99-93-4]
(4-Hydroxyphenyl)ethan-1-one; 4'-Hydroxyacetophenone; 99-93-4; C10700
(4-hydroxyphenyl)ethan-1-one; 4-hydroxyaceto-phenone; CPD-10598; p-hydroxyaceto-phenone
1-(4-hydroxyphenyl)ethan-1-one
2,4-Cyclohexadien-1-one, 4-acetyl- (9CI)
2,5-Cyclohexadien-1-one, 4-acetyl- (9CI)
2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
4-hydroxyacetophenone; bmse010030; p-Hydroxyacetophenone
4-HYDROXYACETOPHENONE; [99-93-4]
| 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) | 1.36 | 2.07 | -8.13 | 1 | 2 | 0 | 37 | 136.15 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.57 | 1.49 | -101.22 | 0 | 2 | -2 | 46 | 134.134 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 2.92 | -42.63 | 0 | 2 | -1 | 40 | 135.142 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| SOLUBILITY | .; methanol: 0.1 g/mL, clear | Indofine |
| Melting_Point | 106-108? | Alfa-Aesar |
| Melting_Point | 106-108° | Alfa-Aesar |
| Mp [°C] | 107 - 111 | Acros Organics |
| MP | 109 - 111 | Enamine Building Blocks |
| MP | 109...111 | Enamine Building Blocks |
| MP | 110 | TCI |
| M.P | 132-135 °C | Indofine |
| BP [°C] | 147 - 148 (p=3 torr) | Acros Organics |
| BP | 148 / 3 | TCI |
| Boiling_Point | 286? | Alfa-Aesar |
| Boiling_Point | 286° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| UniProt Database Links | DHDH_CANFA; DHDH_MACFU; DHDH_PIG; HAPMO_PSEFL; PAMO_THEFY | ChEBI |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H319: Causes serious eye irritation; H302: Harmful if swallowed; 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; 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 |
| PUBCHEM_PATENT_ID | US5118696 | IBM Patent Data |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.