| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 14 | No |
Popular Name: beta-Ionone, 96%, synthetic beta-Ionone, 96%, synthetic
Find On: PubMed — Wikipedia — Google
CAS Numbers: 14901-07-6 , 79-77-6 , 8013-90-9
4-(2,6,6-Trimethyl-1-Cyclohexenyl)-3-Buten-2-One
| 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) | 3.45 | 7.84 | -4.21 | 0 | 1 | 0 | 17 | 192.302 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 126 - 128 (p=12 torr) | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
