UCSF

ZINC00388765

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 9 Yes

Popular Name: Ethyl 3-hydroxybutyrate Ethyl 3-hydroxybutyrate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 24915-95-5 , 35608-64-1 , 5405-41-4 , 56816-01-4 , [5405-41-4] , [56816-01-4]

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) 0.24 1.9 -7.01 1 3 0 47 132.159 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 169-171? Alfa-Aesar
Boiling_Point 169-171° Alfa-Aesar
BP [°C] 170 Acros Organics
BP 170° Oakwood Chemical
BP 180 TCI
BP [°C] 180 - 182 Acros Organics
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
PUBCHEM_PATENT_ID EP0877298A3; EP1020498A1; US5846637 IBM Patent Data
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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