UCSF

ZINC00391109

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 8 Yes

Popular Name: Ethyl isobutyrate Ethyl isobutyrate

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CAS Numbers: 97-62-1 , [97-62-1]

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) 1.67 4.54 -4.58 0 2 0 26 116.16 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 88? Alfa-Aesar
Melting_Point 88° Alfa-Aesar
Boiling_Point 108-110? Alfa-Aesar
Boiling_Point 108-110° Alfa-Aesar
BP 110 TCI
BP [°C] 112 - 113 Acros Organics
Hazard F: Highly flammable Acros Organics
H phrase H225: Highly flammable liquid and vapor Acros Organics
H phrase H315: Causes skin irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
R phrase R11: Highly flammable. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics

Activity (Go SEA)

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