46207
己烯雌酚
VETRANAL®, analytical standard
别名:
(E)-3,4-双(4-羟苯基)3-亚己基, DES, 乙芪酚
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关于此项目
经验公式（希尔记法）:
C18H20O2
化学文摘社编号:
分子量:
268.35
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
EC Number:
200-278-5
Beilstein/REAXYS Number:
2056095
MDL number:
产品名称
己烯雌酚, VETRANAL®, analytical standard
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
Quality Level
Gene Information
human ... ESR1(2099)
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Legal Information
VETRANAL is a registered trademark of Merck KGaA, Darmstadt, Germany
Application
DES has been used as a reference standard for the determination of DES in:
It may be used as a reference standard for the analysis 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.
wgk
WGK 3
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
存储类别
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves, type P2 (EN 143) respirator cartridges
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)
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)
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)
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)
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