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Product Overview

Product Code

TRC-M525550

CAS Number

40809-41-4

Product Format

Neat

Molecular Formula

C16 H20 O6

Molecular Weight

308.33

Product Categories

Phthalates, TRC, Phytochemical Reference Materials and Research Tools, Food contact materials

Product Type

Metabolite, Contaminant

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

rac Mono(5-carboxy-2-ethylpentyl) Phthalate

CAS Number

40809-41-4

Molecular Formula

C16 H20 O6

Molecular Weight

308.33

Accurate Mass

308.126

SMILES

CCC(CCCC(=O)O)COC(=O)c1ccccc1C(=O)O

InChI

InChI=1S/C16H20O6/c1-2-11(6-5-9-14(17)18)10-22-16(21)13-8-4-3-7-12(13)15(19)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,18)(H,19,20)

IUPAC

2-(5-carboxy-2-ethylpentoxy)carbonylbenzoic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Blue Ice

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

Purity

>95% (HPLC)

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