| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 13 | Yes |
Popular Name: Methyl 3-(4-hydroxyphenyl)propionate Methyl 3-(4-hydroxyphenyl)propio…
Find On: PubMed — Wikipedia — Google
CAS Number: 5597-50-2
"Methyl 3-(4-hydroxyphenyl)propionate, 98%"
3-(4-Hydroxyphenyl)propionic acid methyl ester
Methyl 3-(4-hydroxyphenyl)propanoate
Methyl 3-(4-hydroxyphenyl)propionate, 98%
Methyl 3-(4-hydroxyphenyl)propionate, 98+%
methyl-3-(4-hydroxyphenyl)propionate
| 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) | 1.71 | 3.88 | -7.12 | 1 | 3 | 0 | 47 | 180.203 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 108 (p=11 torr) | Acros Organics |
| Boiling_Point | 108?/11mm | Alfa-Aesar |
| BP | 108°/11mm | Oakwood Chemical |
| Mp [°C] | 37 - 41 | Acros Organics |
| MP | 39 - 41 | Enamine Building Blocks |
| Melting_Point | 39-41? lit. | Alfa-Aesar |
| MP | 39-41° | Oakwood Chemical |
| MP | 39...41 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | APIChem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory 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; 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 |
