| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 11 | No |
Popular Name: Ethyl isobutyrylacetate Ethyl isobutyrylacetate
Find On: PubMed — Wikipedia — Google
CAS Number: 7152-15-0
"Ethyl isobutyrylacetate, 98%"
4-Methyl-3-oxo-pentanoic acid ethyl ester
Ethyl 4-methyl-3-oxopentanoate
Ethyl-3-oxo-4-methylpentanoate
Isobutyrylacetic acid ethyl ester
| 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) | 0.81 | 6.13 | -11.4 | 0 | 3 | 0 | 43 | 158.197 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 9 | Acros Organics |
| MP | 9 - -7 | Enamine Building Blocks |
| MP | 9...-7 | Enamine Building Blocks |
| Melting_Point | 9? | Alfa-Aesar |
| Melting_Point | 9° | Alfa-Aesar |
| Boiling_Point | 172-174? | Alfa-Aesar |
| Boiling_Point | 172-174° | Alfa-Aesar |
| BP [°C] | 173 | Acros Organics |
| BP | 173° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Warnings | Flammable | Matrix Scientific |
| H phrase | H226: Flammable liquid and vapor | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
| R phrase | R10: Flammable. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
