UCSF

ZINC03875342

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 24 Yes

Popular Name: Piperonyl butoxide Piperonyl butoxide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 51-03-6 , [51-03-6]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.05 8.15 -9.43 0 5 0 46 338.444 13 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 155?/0.3mm Alfa-Aesar
BP [°C] 180 (p=1 torr) Acros Organics
BP 195 / 2 TCI
Purity 95% Fluorochem
Patent Database Links EP0911330; EP0989125; EP1048664; EP1243333; EP1685843; GB2005138; US2003022931; US2004063904; US2007141014; US2007207222; WO2005016904; WO2005035496; WO2005095377; WO2005108338; WO2006020664; WO2006048745; WO2006086984; WO2007086082; WO2007103687; WO20081 ChEBI
H phrase H411: Toxic to aquatic life with long lasting effects Acros Organics
H phrase H411: Toxic to aquatic life with long lasting effects; H311: Toxic in contact with skin Acros Organics
Therapy insecticide synergist SMDC Pharmakon
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P273: Avoid release to the environment Acros Organics
R phrase R24: Toxic in contact with skin. Acros Organics
R phrase R24: Toxic in contact with skin.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S28A: After contact with skin, wash immediately with plenty of water. Acros Organics
S phrase S28A: After contact with skin, wash immediately with plenty of water.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where pos Acros Organics
Hazard T: Toxic Acros Organics
Hazard T: Toxic; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.