| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 9 | Yes |
Popular Name: Isoamyl acetate Isoamyl acetate
Find On: PubMed — Wikipedia — Google
CAS Number: 123-92-2
123-92-2; C12296; Isoamyl acetate
Isoamyl Acetate [for Spectrophotometry]
| 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) | 2.04 | 5.18 | -4.92 | 0 | 2 | 0 | 26 | 130.187 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 1.474 | Bitter DB |
| Mp [°C] | 78 | Acros Organics |
| Melting_Point | 78? | Alfa-Aesar |
| Melting_Point | 78° | Alfa-Aesar |
| BP | 141 | TCI |
| BP | 142 | TCI |
| BP [°C] | 142 (p=756 torr) | Acros Organics |
| Boiling_Point | 142? | Alfa-Aesar |
| Boiling_Point | 142° | Alfa-Aesar |
| Patent Database Links | EP1010697; EP1336609; EP1580194; GB2014030; US2005250828; US2007196453; WO2005070931; WO2005077941; WO2007120725 | ChEBI |
| H phrase | H226: Flammable liquid and vapor | Acros Organics |
| H phrase | H226: Flammable liquid and vapor; EUH066: Repeated exposure may cause skin dryness or cracking | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
| R phrase | R10: Flammable. | Acros Organics |
| R phrase | R10: Flammable.; R66: Repeated exposure may cause skin dryness or cracking. | Acros Organics |
| S phrase | S23: Do not breathe gas/fumes/vapour/spray. | Acros Organics |
| S phrase | S23: Do not breathe gas/fumes/vapour/spray.; S25: Avoid contact with eyes. | Acros Organics |
| PUBCHEM_PATENT_ID | WO1995029892A1 | IBM Patent Data |
