| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | Yes |
Popular Name: Acetovanillone Acetovanillone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2/2/498 , 498-02-2 , [498-02-2]
1-(4-Hydroxy-3-methoxyphenyl)-ethanone
1-(4-hydroxy-3-methoxyphenyl)ethan-1-one
1-(4-hydroxy-3-methoxyphenyl)ethanone
3-Methoxy-4-hydroxyacetophenone
4'-Hydroxy-3'-methoxyacetophenone
4'-Hydroxy-3'-methoxyacetophenone, 98%
4-Hydroxy-3-methoxyacetophenone
4-Hydroxy-3-Methoxyacetophenone [498-02-2]; (Acetovanillon)
4-Hydroxy-3-methoxyacetophenone, 99%+
4-hydroxy-3-methoxyacetophenone; Acetovanillone; bmse010031
4-HYDROXY-3-METHOXYACETOPHENONE; [498-02-2]
498-02-2; Acetovanillone; Apocynin; C11380
4กไ-Hydroxy-3กไ-methoxyacetophenone
| 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) | 1.18 | 2.14 | -9.95 | 1 | 3 | 0 | 47 | 166.176 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 3.07 | -46.46 | 0 | 3 | -1 | 49 | 165.168 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 112 - 116 | Acros Organics |
| MP | 112-115 °C(lit.) | Indofine |
| MP | 112-115° | Oakwood Chemical |
| Melting_Point | 112-116? | Alfa-Aesar |
| Melting_Point | 112-116° | Alfa-Aesar |
| MP | 113 - 116 | Enamine Building Blocks |
| MP | 113...116 | Enamine Building Blocks |
| MP | 114-115o C | Indofine |
| MP | 115 | TCI |
| BP | 263-265°/17mm | Oakwood Chemical |
| BP [°C] | 295 - 300 | Acros Organics |
| Boiling_Point | 295-300? | Alfa-Aesar |
| Boiling_Point | 295-300° | Alfa-Aesar |
| BP | 300 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Patent Database Links | EP1602926; EP1923702; US2007254900; WO2007104985 | ChEBI |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Target | NADPH oxidase | Selleck Chemicals |
| Target | Others | Selleck Chemicals |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; 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 | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
