| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 15 | Yes |
Popular Name: 2,2,4-Trimethyl-1,3-pentanediol 1-monoisobutyrate 2,2,4-Trimethyl-1,3-pentanediol …
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CAS Numbers: 25265-77-4 , [25265-77-4]
2,2,4-Trimethyl-1,3-pentanediol monoisobutyrate
2,2,4-Trimethyl-1,3-pentanediolmono(2-methylpropanoate)
2,2,4-Trimethyl-1,3-pentanediolmono(2-methylpropanoate), 98+%
| 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) | 2.93 | 5.5 | -6.06 | 1 | 3 | 0 | 47 | 216.321 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 50? | Alfa-Aesar |
| Melting_Point | 50° | Alfa-Aesar |
| BP [°C] | 244 | Acros Organics |
| Boiling_Point | 254-261? | Alfa-Aesar |
| Boiling_Point | 254-261° | Alfa-Aesar |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
