| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2005 | 12 | Yes |
Popular Name: 3-(4-Methylphenyl)propionic acid 3-(4-Methylphenyl)propionic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1505-50-6 , [1505-50-6]
3-(4-methylphenyl)propanoic acid
3-(4-Methylphenyl)propionic acid, 98+%
3-(4-methylphenyl)propionicacid
3-(p-Tolyl)propionic acid, 97%
4-Methyl phenyl propionic acid
| 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) | 2.33 | 1.44 | -46.26 | 0 | 2 | -1 | 40 | 163.196 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 109 - 111 | Enamine Building Blocks |
| MP | 109...111 | Enamine Building Blocks |
| MP | 115 - 118 | Enamine Building Blocks |
| Melting_Point | 115-117? | Alfa-Aesar |
| Melting_Point | 115-117° | Alfa-Aesar |
| MP | 115-118° | Oakwood Chemical |
| MP | 118-120° | Matrix Scientific |
| ALOGPS_SOLUBILITY | 4.93e-01 g/l | DrugBank-experimental |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Matrix Scientific |
| 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 |
| 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 |
No pre-computed analogs available. Try a structural similarity search.