UCSF

ZINC01648304

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Substance Information

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

Popular Name: Ethyl hexanoate Ethyl hexanoate

Find On: PubMed — Wikipedia — Google

CAS Number: 123-66-0

Download: MOL2 SDF SMILES Flexibase

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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) 2.69 2.63 -4.58 0 2 0 26 144.214 6 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 67? Alfa-Aesar
Melting_Point 67° Alfa-Aesar
Boiling_Point 166? Alfa-Aesar
Boiling_Point 166° Alfa-Aesar
BP [°C] 168 Acros Organics
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
PUBCHEM_PATENT_ID WO1995031974A1 IBM Patent Data

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