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Chemical structure of Benzyl butyl phthalate

GC60636

Benzyl butyl phthalate

Also known as 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate

Benzyl butyl phthalate, a member of phthalic acid esters (PAEs), can trigger the migration and invasion of hemangioma (HA) cells via upregulation of Zeb1· Benzyl butyl phthalate activates aryl hydrocarbon receptor (AhR) in breast cancer cells to stimulate SPHK1/S1P/S1PR3 signaling and enhances formation of metastasis-initiating breast cancer stem cells (BCSCs)

ChemicalCAS85-68-7MW312.36FormulaC19H20O4
CAS number
85-68-7
Molecular weight
312.36
Formula
C19H20O4
Solubility
DMSO： 100 mg/mL (320·14 mM)
InChIKey
IRIAEXORFWYRCZ-UHFFFAOYSA-N
Catalogue number
GC60636
Brand
GLPBIO
Computed properties PubChem CID 2347 · XLogP 4.9 · TPSA 52.6 Ų · H-bond donors 0
XLogP
4.9
TPSA
52.6 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
23

SMILES CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2

Computed descriptors from PubChem (CID 2347), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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