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Dicyclohexyl phthalate-3,4,5,6-d4

PESTANAL®, analytical standard

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Empirical Formula (Hill Notation):
C20D4H22O4
CAS Number:
Molecular Weight:
334.44
MDL number:
UNSPSC Code:
41116107
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

product line

PESTANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

application(s)

agriculture
environmental

format

neat

mass shift

M+4

SMILES string

[2H]c1c([2H])c([2H])c(C(=O)OC2CCCCC2)c(c1[2H])C(=O)OC3CCCCC3

InChI

1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2/i7D,8D,13D,14D

InChI key

VOWAEIGWURALJQ-ZZRPVTOQSA-N

Related Categories

General description

Dicyclohexyl phthalate-3,4,5,6-d4 is a deuterated phthalate ester analog, wherein 3, 4, 5, and 6 protons of the aryl ring are replaced by deuterium.

Application

Dicyclohexyl phthalate-3,4,5,6-d4 can be used as a deuterated internal standard to determine the levels of phthalates in aquatic matrices by ultra-high-performance liquid chromatography coupled to hybrid Q-Orbitrap mass spectrometry.
Isotope-labeled compounds are increasingly used in isotope dilution mass spectrometry (IDMS) for the quantitative analysis of pesticides. The major advantage of using this technique is that the isotope-labeled compounds have nearly the same physical properties as their non-labeled counterpart analogs, and thus show identical behavior during the workup and sample preparation process. This helps in overcoming the problems of matrix effects generally encountered in the usual LC-MS/GC-MS analysis potentially resulting in biased results. By spiking the sample before workup with its isotope labeled analog, the loss of analyte that leads to matrix effects can be determined and compensated.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

Pictograms

Health hazardExclamation mark

Signal Word

Danger

Hazard Statements

Hazard Classifications

Aquatic Chronic 3 - Repr. 1B - Skin Sens. 1

WGK

WGK 1

Flash Point(F)

356.0 - 374.0 °F

Flash Point(C)

180 - 190 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Targeted quantification and untargeted screening of alkylphenols, bisphenol A and phthalates in aquatic matrices using ultra-high-performance liquid chromatography coupled to hybrid Q-Orbitrap mass spectrometry
Huysman S, et al.
Analytica Chimica Acta, 1049, 141-151 (2019)

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