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Product Overview

Product Code

TRC-M525590

CAS Number

898544-09-7

Product Format

Neat

Molecular Formula

C17H22O6

Molecular Weight

322.35

Product Categories

TRC, Food contact materials, Phthalates, Impurity Reference Materials

Product Type

Metabolite, Contaminant

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Mono-carboxy-isooctyl Phthalate

CAS Number

898544-09-7

Molecular Formula

C17H22O6

Molecular Weight

322.35

Accurate Mass

322.1416

SMILES

CC(CCCCCCC(=O)O)OC(=O)c1ccccc1C(=O)O

InChI

InChI=1S/C17H22O6/c1-12(8-4-2-3-5-11-15(18)19)23-17(22)14-10-7-6-9-13(14)16(20)21/h6-7,9-10,12H,2-5,8,11H2,1H3,(H,18,19)(H,20,21)

IUPAC

2-(7-carboxy-1-methyl-heptoxy)carbonylbenzoic acid

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

Purity

>95% (HPLC)

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