UCSF

ZINC00388077

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: Ethyl isovalerate Ethyl isovalerate

Find On: PubMed — Wikipedia — Google

CAS Number: 108-64-5

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) 1.90 5.14 -4.36 0 2 0 26 130.187 4 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 99 Acros Organics
Melting_Point 99? Alfa-Aesar
Melting_Point 99° Alfa-Aesar
BP [°C] 131 - 133 Acros Organics
Boiling_Point 131-133? Alfa-Aesar
Boiling_Point 131-133° Alfa-Aesar
BP 134 TCI
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
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics

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