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Product Overview

Product Code

TRC-E017910

CAS Number

1684398-40-0

Product Format

Neat

Molecular Formula

C16 H20 O5

Molecular Weight

292.327

Product Categories

TRC, Phthalates, Food contact materials

Product Type

Contaminant

Documentation

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Product Information

Chemical Data

Analyte Name

Terephthalic Acid, Mono-2-ethyl-5-oxohexyl Ester

CAS Number

1684398-40-0

Molecular Formula

C16 H20 O5

Molecular Weight

292.327

Accurate Mass

292.131

SMILES

CCC(CCC(=O)C)COC(=O)c1ccc(cc1)C(=O)O

InChI

InChI=1S/C16H20O5/c1-3-12(5-4-11(2)17)10-21-16(20)14-8-6-13(7-9-14)15(18)19/h6-9,12H,3-5,10H2,1-2H3,(H,18,19)

IUPAC

4-(2-ethyl-5-oxohexoxy)carbonylbenzoic acid

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Chemical Data

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Product citations

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1-(2-Ethyl-5-oxohexyl)hydrogen 1,4-Benzenedicarboxylate

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