| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 5 | No |
Popular Name: Isobutyraldehyde Isobutyraldehyde
CPD-7000; isobutanal; isobutylaldehyde; isobutyraldehyde
| 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) | 1.25 | 2.62 | -4.66 | 0 | 1 | 0 | 17 | 72.107 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 65 | Acros Organics |
| M.P | 65 °C | Indofine |
| Melting_Point | 65? | Alfa-Aesar |
| Melting_Point | 65° | Alfa-Aesar |
| BP [°C] | 63 | Acros Organics |
| Boiling_Point | 63-65? | Alfa-Aesar |
| Boiling_Point | 63-65° | Alfa-Aesar |
| BP | 65 | TCI |
| Purity | 99% | Fluorochem |
| UniProt Database Links | ACDH4_BURXL; AHR_ECOLI; CUTA_SULAC; CUTB_SULAC; CUTC_SULAC; YAHK_ECOLI | ChEBI |
| Patent Database Links | EP1422218; US2005170475; US2007196906; US2008274064; WO2005034857; WO2007134666 | ChEBI |
| Hazard | F: Highly flammable | Acros Organics |
| Hazard | F: Highly flammable; XI: Irritant | Acros Organics |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H225: Highly flammable liquid and vapor | Acros Organics |
| P phrase | P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing | Acros Organics |
| P phrase | P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P240: Ground/Bond container and r | Acros Organics |
| R phrase | R11: Highly flammable. | Acros Organics |
| R phrase | R11: Highly flammable.; R36: Irritating to eyes. | Acros Organics |
