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Product Overview

Product Code

TRC-M566535

CAS Number

936022-00-3

Product Format

Neat

Molecular Formula

C17 H22 O5

Molecular Weight

306.3536

Product Categories

Phthalates, TRC, Carbonyl compounds, Food contact materials

Product Type

Metabolite, Contaminant

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Mono-(4-methyl-7-oxooctyl) phthalate

CAS Number

936022-00-3

Molecular Formula

C17 H22 O5

Molecular Weight

306.3536

Accurate Mass

306.1467

SMILES

CC(CCCOC(=O)c1ccccc1C(=O)O)CCC(=O)C

InChI

InChI=1S/C17H22O5/c1-12(9-10-13(2)18)6-5-11-22-17(21)15-8-4-3-7-14(15)16(19)20/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,19,20)

IUPAC

2-(4-methyl-7-oxooctoxy)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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