| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2006 | 24 | No |
Popular Name: Behenic acid Behenic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 112-85-6 , 2489-05-6 , 5/6/2489 12:00:00 AM , 505-56-6 , [112-85-6]
112-85-6; Behenic acid; C08281; Docosanoate; Docosanoic acid
behenate; behenic acid; docosanoate; docosanoic acid
CH3-[CH2]20-COO(-); Docosanoate; behenate; docosanoate
| 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) | 7.59 | 3.08 | -44.73 | 0 | 2 | -1 | 40 | 339.584 | 20 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 306 (p=60 torr) | Acros Organics |
| Boiling_Point | 306?/60mm | Alfa-Aesar |
| Boiling_Point | 306°/60mm | Alfa-Aesar |
| Melting_Point | 74-78? | Alfa-Aesar |
| Melting_Point | 74-78° | Alfa-Aesar |
| Mp [°C] | 80 - 82 | Acros Organics |
| Melting_Point | dec. | Alfa-Aesar |
| Patent Database Links | EP0864373; EP0962459; EP0964029; EP1149836; EP1375583; EP1557427; EP1602334; EP1614411; EP1640383; EP1671617; EP1676488; EP1731602; EP1746141; EP1792607; EP1857092; EP1886660; EP1964832; EP1964833; EP1970040; EP1974728; US2003161808; US2003180433; US20041 | ChEBI |
| Patent Database Links | EP1623696; EP1645265; EP1983044; US2007190002; US2007254044; US7276485 | ChEBI |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
