UCSF

ZINC01648316

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 No

Popular Name: Ethyl octanoate Ethyl octanoate

Find On: PubMed — Wikipedia — Google

CAS Number: 106-32-1

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) 3.70 2.87 -4.55 0 2 0 26 172.268 8 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 47 Acros Organics
Melting_Point 47? Alfa-Aesar
Melting_Point 47° Alfa-Aesar
BP [°C] 206 - 208 Acros Organics
Boiling_Point 206-208? Alfa-Aesar
Boiling_Point 206-208° Alfa-Aesar
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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