| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 12 | Yes |
Popular Name: Octanedioic acid Octanedioic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 505-48-6 , [505-48-6]
C8-DCA(2-); octanedioate; octanedioate(2-); suberate
| 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) | 1.37 | 6.67 | -94.92 | 0 | 4 | -2 | 80 | 172.18 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.37 | 4.69 | -47.41 | 1 | 4 | -1 | 77 | 173.188 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 139-146° | Oakwood Chemical |
| M.P | 140-144 °C | Indofine |
| Mp [°C] | 141 - 144 | Acros Organics |
| Melting_Point | 141-144? | Alfa-Aesar |
| Melting_Point | 141-144° | Alfa-Aesar |
| MP | 142 - 144 | Enamine Building Blocks |
| MP | 142...144 | Enamine Building Blocks |
| MP | 143 | TCI |
| BP [°C] | 230 (p=15 torr) | Acros Organics |
| Boiling_Point | 230?/15mm | Alfa-Aesar |
| BP | 230°/15 mm | Oakwood Chemical |
| Boiling_Point | 230°/15mm | Alfa-Aesar |
| BP | 279 / 100 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Patent Database Links | EP1627868; EP1704878; EP1857097; US2007184098; WO2005000831 | ChEBI |
| H phrase | H319: Causes serious eye 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: Irritating to eyes. | 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.; S39: Wear eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
