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Chemical structure of Mono(5-carboxy-2-ethylpentyl) phthalate

GC75170

Mono(5-carboxy-2-ethylpentyl) phthalate

Also known as 2-(5-carboxy-2-ethylpentoxy)carbonylbenzoic acid

Mono(5-carboxy-2-ethylpentyl) phthalate (MECPP) is a metabolite of Di-(2-ethylhexyl) phthalate (DEHP)

ChemicalCAS40809-41-4MW308.33FormulaC16H20O6
CAS number
40809-41-4
Molecular weight
308.33
Formula
C16H20O6
InChIKey
XFGRNAPKLGXDGF-UHFFFAOYSA-N
Catalogue number
GC75170
Brand
GLPBIO
Computed properties PubChem CID 148386 · XLogP 2.7 · TPSA 101 Ų · H-bond donors 2
XLogP
2.7
TPSA
101 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
22

SMILES CCC(CCCC(=O)O)COC(=O)C1=CC=CC=C1C(=O)O

Computed descriptors from PubChem (CID 148386), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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