UCSF

ZINC12359968

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 26 Yes

Popular Name: Bis(2-ethylhexyl) adipate Bis(2-ethylhexyl) adipate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 103-23-1 , [103-23-1]

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) 7.36 15.82 -6.61 0 4 0 53 370.574 19 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 67? Alfa-Aesar
Melting_Point 67° Alfa-Aesar
Mp [°C] 76 Acros Organics
Boiling_Point 166-168?/1mm Alfa-Aesar
Boiling_Point 166-168°/1mm Alfa-Aesar
BP [°C] 210 - 218 (p=5 torr) Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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