UCSF

ZINC02041123

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 9 Yes

Popular Name: Propyl butyrate Propyl butyrate

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CAS Number: 105-66-8

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) 2.18 2.46 -4.42 0 2 0 26 130.187 5 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 95 Acros Organics
BP [°C] 143 Acros Organics
BP 144 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% )