| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 15 | Yes |
Popular Name: 3,4-Diethoxybenzoic acid 3,4-Diethoxybenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 5409-31-4 , [5409-31-4]
| 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) | 2.25 | 1.17 | -49.61 | 0 | 4 | -1 | 58 | 209.221 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 167 - 169 | Enamine Building Blocks |
| Mp [°C] | 167 - 170 | Acros Organics |
| M.P | 167-169 °C | Indofine |
| Melting_Point | 167-169? | Alfa-Aesar |
| Melting_Point | 167-169° | Alfa-Aesar |
| MP | 167...169 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| 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 | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
