| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 8 | Yes |
123-86-4; Butyl acetate; C12304; n-Butyl acetate
Butyl Acetate [for Spectrophotometry]
n-Butyl acetate, 99+%, Extra Dry, AcroSeal§4
n-Butyl acetate, 99+%, Extra Dry, AcroSeal®
n-Butyl acetate, 99+%, extra pure
n-Butyl acetate, 99+%, for spectroscopy
n-Butyl acetate, 99.5%, for biochemistry, AcroSeal§4
n-Butyl acetate, 99.5+%, for electronic use, residue free
n-Butyl acetate, HPLC Grade, 99.5+%
| 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) | 1.82 | 4.67 | -4.91 | 0 | 2 | 0 | 26 | 116.16 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 78 | Acros Organics |
| Melting_Point | 78? | Alfa-Aesar |
| Melting_Point | 78° | Alfa-Aesar |
| Boiling_Point | 124-126? | Alfa-Aesar |
| Boiling_Point | 124-126° | Alfa-Aesar |
| BP | 126 | TCI |
| BP [°C] | 127 | Acros Organics |
| Patent Database Links | EP0845461; EP0847989; EP0867515; EP0872473; EP0872474; EP0879819; EP1016665; EP1167373; EP1180516; EP1191023; EP1227104; EP1229031; EP1253147; EP1283204; EP1318200; EP1327633; EP1364942; EP1454899; EP1475369; EP1505072; EP1514877; EP1516597; EP1577303; EP | ChEBI |
| H phrase | H336: May cause drowsiness or dizziness | Acros Organics |
| H phrase | H336: May cause drowsiness or dizziness; H226: Flammable liquid and vapor; EUH066: Repeated exposure may cause skin dryness or cracking | Acros Organics |
| UniProt Database Links | OR24A_DROME; OR35A_DROME; OR63A_DROME; OR85B_DROME | ChEBI |
| P phrase | P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing | Acros Organics |
| P phrase | P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P240: Ground/Bond | Acros Organics |
| R phrase | R10: Flammable. | Acros Organics |
| R phrase | R10: Flammable.; R66: Repeated exposure may cause skin dryness or cracking.; R67: Vapours may cause drowsiness and dizziness. | Acros Organics |
| S phrase | S25: Avoid contact with eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.