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Chemical structure of Butopyronoxyl

GC61727

Butopyronoxyl

Also known as butyl 2,2-dimethyl-4-oxo-3H-pyran-6-carboxylate

Butopyronoxyl is an insect repellent that can be mainly used to repel mosquitoes

ChemicalCAS532-34-3MW226.27FormulaC12H18O4
CAS number
532-34-3
Molecular weight
226.27
Formula
C12H18O4
Solubility
DMSO： 100 mg/mL (441·95 mM)
InChIKey
OKIJSNGRQAOIGZ-UHFFFAOYSA-N
Catalogue number
GC61727
Brand
GLPBIO
Computed properties PubChem CID 10760 · XLogP 1.9 · TPSA 52.6 Ų · H-bond donors 0
XLogP
1.9
TPSA
52.6 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
16

SMILES CCCCOC(=O)C1=CC(=O)CC(O1)(C)C

Computed descriptors from PubChem (CID 10760), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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