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Chemical structure of Diisohexyl phthalate

GC64744

Diisohexyl phthalate

Also known as bis(4-methylpentyl) benzene-1,2-dicarboxylate

Diisohexyl phthalate is a type of dialkyl phthalate showing agonistic activity via estrogen receptor α (ERα) with a REC20 value of 2·8×10-6M and antagonistic activity via estrogen receptor β (ERβ) with an RIC20 value of 3·2×10-6M

ChemicalCAS71850-09-4MW334.45FormulaC20H30O4
CAS number
71850-09-4
Molecular weight
334.45
Formula
C20H30O4
Solubility
DMSO ： 200 mg/mL (598·00 mM; Need ultrasonic)
InChIKey
ALEROMXYYSQFLX-UHFFFAOYSA-N
Catalogue number
GC64744
Brand
GLPBIO
Computed properties PubChem CID 8970 · XLogP 6.3 · TPSA 52.6 Ų · H-bond donors 0
XLogP
6.3
TPSA
52.6 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
24

SMILES CC(C)CCCOC(=O)C1=CC=CC=C1C(=O)OCCCC(C)C

Computed descriptors from PubChem (CID 8970), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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