34186

Dicyclohexyl phthalate-3,4,5,6-d₄

PESTANAL^®, analytical standard

• Empirical Formula (Hill Notation): C₂₀D₄H₂₂O₄
• CAS Number: 358731-25-6
• Molecular Weight: 334.44
• MDL number: MFCD01861635
• UNSPSC Code: 41116107
• PubChem Substance ID: 329754876
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• 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

Description

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

Safety Information

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H317,H360D,H412
• pcodes: P202 - P261 - P273 - P280 - P302 + P352 - P308 + P313
• Hazard Classifications: Aquatic Chronic 3 - Repr. 1B - Skin Sens. 1
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 1
• flash_point_f: 356.0 - 374.0 °F
• flash_point_c: 180 - 190 °C
• ppe: Eyeshields, Gloves