| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 20 | Yes |
Popular Name: 2,2,4-Trimethylpentane-1,3-diyl bis(2-methylpropanoate) 2,2,4-Trimethylpentane-1,3-diyl …
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CAS Numbers: 6846-50-0 , [6846-50-0]
2,2,4-Trimethyl-1,3-pentadienol diisobutyrate
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate
| 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) | 4.55 | 10.4 | -8.05 | 0 | 4 | 0 | 53 | 286.412 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 70 | Acros Organics |
| BP [°C] | 280 | Acros Organics |
| Purity | 95% | Fluorochem |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
