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Chemical structure of Mono(2-ethyl-5-hydroxyhexyl) phthalate-d4

GC70698

Mono(2-ethyl-5-hydroxyhexyl) phthalate-d4

Also known as 2,3,4,5-tetradeuterio-6-(2-ethyl-5-hydroxyhexoxy)carbonylbenzoic acid

Mono(2-ethyl-5-hydroxyhexyl) phthalate-d4 (MEHHP-d4) is a deuterium labeled Mono(2-ethyl-5-hydroxyhexyl) phthalate

ChemicalCAS679789-43-6MW298.37FormulaC16H18D4O5
CAS number
679789-43-6
Molecular weight
298.37
Formula
C16H18D4O5
InChIKey
RYPQSGURZSTFSX-UGWFXTGHSA-N
Catalogue number
GC70698
Brand
GLPBIO
Computed properties PubChem CID 12080046 · XLogP 2.5 · TPSA 83.8 Ų · H-bond donors 2
XLogP
2.5
TPSA
83.8 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
21

SMILES [2H]C1=C(C(=C(C(=C1[2H])C(=O)O)C(=O)OCC(CC)CCC(C)O)[2H])[2H]

Computed descriptors from PubChem (CID 12080046), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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