| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 10 | Yes |
Popular Name: 2'-Hydroxyacetophenone 2'-Hydroxyacetophenone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 118-93-4 , 125507-95-1 , 80753-89-5 , [118-93-4]
1-(2-hydroxyphenyl)ethan-1-one
2,4-Cyclohexadien-1-one, 6-(1-hydroxyethylidene)- (9CI)
2,4-Cyclohexadien-1-one, 6-acetyl- (9CI)
| 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) | 1.78 | 3.55 | -9.03 | 1 | 2 | 0 | 37 | 136.15 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.78 | 4.49 | -53.22 | 0 | 2 | -1 | 40 | 135.142 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 213°/717mm | Oakwood Chemical |
| BP | 218 | TCI |
| Boiling_Point | 218? | Alfa-Aesar |
| Boiling_Point | 218° | Alfa-Aesar |
| MP | 3 - 6 | Enamine Building Blocks |
| Melting_Point | 3-6? | Alfa-Aesar |
| Melting_Point | 3-6° | Alfa-Aesar |
| MP | 3...6 | Enamine Building Blocks |
| Mp [°C] | 4 - 6 | Acros Organics |
| MP | 6 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| BP [°C] | 92 - 93 (p=12 torr) | Acros Organics |
| purity | 95 | Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | APIChem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| 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 |
