5-({2-[2-(2H9)butoxyethoxy]ethoxy}methyl)-6-propyl-2H-1,3-benzodioxole

• ChemBase ID: 176783
• Molecular Formular: C19H30O5
• Molecular Mass: 338.4385
• Monoisotopic Mass: 338.20932406
• SMILES: c12c(cc(c(c1)COCCOCCOCCCC)CCC)OCO2
• Canonical SMILES: CCCCOCCOCCOCc1cc2OCOc2cc1CCC
• InChI: InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3
• InChIKey: FIPWRIJSWJWJAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-({2-[2-(^2H₉)butoxyethoxy]ethoxy}methyl)-6-propyl-2H-1,3-benzodioxole
• IUPAC Traditional name: 5-({2-[2-(^2H₉)butoxyethoxy]ethoxy}methyl)-6-propyl-2H-1,3-benzodioxole
• Synonyms: ENT-14250-d9; Butacide-d9; Piperonyl Butoxide-d9; 5-[[2-(2-Butoxyethoxy)ethoxy]methyl]-6-propyl-1,3-benzodioxole-d9

Database IDs

• PubChem SID: 164232693
• PubChem CID: 71751693

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.1047626
• LogD (pH = 7.4): 4.1047626
• Log P: 4.1047626
• Molar Refractivity: 93.5958 cm^3
• Polarizability: 36.88993 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Light Yellow Oil

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - P490202

Insecticide synergist, especially for pyrethroids and rotenone.

REFERENCES

• Jiang, W., et al.: J. Econ. Entomol., 103, 1365 (2010)
• Markussen, M., et al.: Pest. Biochem. Physiol., 98, 50 (2010)