| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 12 | Yes |
Popular Name: Piperonylic acid Piperonylic acid
1,3-benzodioxole-5-carboxylate
1,3-benzodioxole-5-carboxylic acid
1,3-Benzodioxole-5-CarboxylicAcid
1-3-Benzodioxole-5-carboxylic acid
2H-1,3-benzodioxole-5-carboxylic acid
3,4-(Methylenedioxy)benzoic acid
3,4-Methylenedioxybenzoic acid
Benzo[1,3]dioxole-5-carboxylic 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) | 1.74 | 3.73 | -45.72 | 0 | 4 | -1 | 59 | 165.124 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 229 - 231 | Enamine Building Blocks |
| Mp [°C] | 229 - 235 | Acros Organics |
| MP | 229...231 | Enamine Building Blocks |
| MP | 230 | TCI |
| Melting_Point | 230-235? | Alfa-Aesar |
| Melting_Point | 230-235° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| Purity | >98% | 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; H302: Harmful if swallowed | 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 |
| Hazard | XN: Harmful | Acros Organics |
