46207

Diethylstilbestrol

VETRANAL^®, analytical standard

• Synonym(s): (E)-3,4-Bis(4-hydroxyphenyl)-3-hexene, DES, Stilbestrol
• 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

Properties

• Quality Segment: 200
• 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
• SMILES string: CC\C(c1ccc(O)cc1)=C(\CC)c2ccc(O)cc2
• 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+
• InChI key: RGLYKWWBQGJZGM-ISLYRVAYSA-N
• Gene Information: human ... ESR1(2099)

Description

General description

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

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.

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

Safety Information

• pictograms: GHS08,GHS07,GHS09
• signalword: Danger
• hcodes: H315,H319,H335,H350,H360FD,H410
• pcodes: P202 - P261 - P273 - P302 + P352 - P305 + P351 + P338 - P308 + P313
• 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