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Merck

46207

Diethylstilbestrol

VETRANAL®, analytical standard

Synonym(s):

(E)-3,4-Bis(4-hydroxyphenyl)-3-hexene, DES, Stilbestrol

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About This Item

Empirical Formula (Hill Notation):
C18H20O2
CAS Number:
56-53-1
Molecular Weight:
268.35
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329757101
EC Number:
200-278-5
Beilstein/REAXYS Number:
2056095
MDL number:
MFCD00002373

Product Name

Diethylstilbestrol, VETRANAL®, analytical standard

Quality Level

200

InChI key

RGLYKWWBQGJZGM-ISLYRVAYSA-N

InChI

1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+

SMILES string

CC\C(c1ccc(O)cc1)=C(\CC)c2ccc(O)cc2

grade

analytical standard

product line

VETRANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

application(s)

pharmaceutical (small molecule)

format

neat

Gene Information

human ... ESR1(2099)

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Application

DES has been used as a reference standard for the determination of DES in:
  • Dairy products by QuEChERS (quick, easy, cheap, effective, rugged, and safe) extraction procedure and ultra-high performance liquid chromatography-triple quadrupole mass spectrometry (UHPLC-QqQ MS/MS) equipped with electrospray ionization (ESI) and multiple reaction monitoring (MRM) mode of detection.
  • Water samples by magnetic micro-dispersive solid-phase extraction (m-μSPE) and HPLC-MS.

It may be used as a reference standard for the analysis of DES in
  • Aquatic products by modified QuEChERS extraction and multiplug filtration clean-up (m-PFC) followed by LC-ESI-MS/MS with MRM mode of detection.
  • Milk samples by vortex-assisted hollow fibre liquid-phase microextraction (VA-HF-LPME) and HPLC with diode array detection (HPLC-DAD).

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

General description

Diethylstilbestrol (DES) belongs to the synthetic oestrogens class of compounds.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Legal Information

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

signalword

Danger

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Carc. 1B - Eye Irrit. 2 - Repr. 1B - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves, type P2 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
BCCL1197
BCCB2771

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Multiplug filtration cleanup method with multi-walled carbon nanotubes for the analysis of malachite green, diethylstilbestrol residues, and their metabolites in aquatic products by liquid chromatography-tandem mass spectrometry.
Qin Y, et al.
Analytical and Bioanalytical Chemistry, 408(21), 5801-5809 (2016)
Core-shell polydopamine magnetic nanoparticles as sorbent in micro-dispersive solid-phase extraction for the determination of estrogenic compounds in water samples prior to high-performance liquid chromatography-mass spectrometry analysis.
Socas-Rodriguez B, et al.
Journal of Chromatography A, 1397(7), 1-10 (2015)
Multiresidue analysis of oestrogenic compounds in cow, goat, sheep and human milk using core-shell polydopamine coated magnetic nanoparticles as extraction sorbent in micro-dispersive solid-phase extraction followed by ultra-high-performance liquid chromatography tandem mass spectrometry
Socas-Rodriguez B, et al.
Analytical and Bioanalytical Chemistry, 410(7), 2031-2042 (2018)
Vortex-assisted hollow fibre liquid-phase microextraction technique combined with high performance liquid chromatography-diode array detection for the determination of oestrogens in milk samples.
Wang P, et al.
Food Chemistry, 172(21), 385-390 (2015)
Multiresidue determination of estrogens in different dairy products by ultra-high-performance liquid chromatography triple quadrupole mass spectrometry.
Socas-Rodriguez B, et al.
Journal of Chromatography A, 1496(7), 58-67 (2017)
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