UCSF

ZINC01586750

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 Yes

Popular Name: Butyl Butyrate Butyl Butyrate

Find On: PubMed — Wikipedia — Google

CAS Number: 109-21-7

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 2.74 2.58 -4.32 0 2 0 26 144.214 6 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 92 Acros Organics
Melting_Point 92? Alfa-Aesar
Melting_Point 92° Alfa-Aesar
BP 164 TCI
BP [°C] 164 - 165 Acros Organics
Boiling_Point 164-165? Alfa-Aesar
Boiling_Point 164-165° Alfa-Aesar
Purity 95% Fluorochem
H phrase H226: Flammable liquid and vapor Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
R phrase R10: Flammable. Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )