| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2010 | 18 | No |
Popular Name: 1-HEPTADECANOL 1-HEPTADECANOL
Find On: PubMed — Wikipedia — Google
CAS Number: 1454-85-9
1-Heptadecanol; AI3-01234; EINECS 215-932-5; Heptadecyl alcohol; LS-74184; NSC 3921; n-Heptadecanol
1-heptadecanol; heptadecan-1-ol
Heptadecanol; Heptadecanol (mixed primary isomers); LS-74185
| 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) | 7.69 | 10.5 | -2.16 | 1 | 1 | 0 | 20 | 256.474 | 15 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 308-309? | Alfa-Aesar |
| Boiling_Point | 308-309° | Alfa-Aesar |
| BP [°C] | 308.5 | Acros Organics |
| Mp [°C] | 51 - 56 | Acros Organics |
| Melting_Point | 52-56? | Alfa-Aesar |
| Melting_Point | 52-56° | Alfa-Aesar |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| PUBCHEM_PATENT_ID | US4189171; US4939214 | IBM Patent Data |
