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Merck
CN

34023

2,4,6-Trichloroanisole-d5

PESTANAL®, analytical standard

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About This Item

Linear Formula:
Cl3C6D2OCD3
CAS Number:
352439-08-8
Molecular Weight:
216.50
NACRES:
NA.24
PubChem Substance ID:
329754765
UNSPSC Code:
41116107
MDL number:
MFCD01074305

Key Documents

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InChI

1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3/i1D3,2D,3D

SMILES string

[2H]c1c(Cl)c([2H])c(Cl)c(OC([2H])([2H])[2H])c1Cl

InChI key

WCVOGSZTONGSQY-RHIBPKLGSA-N

grade

analytical standard

product line

PESTANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

bp

132 °C/28 mmHg (lit.)

mp

60-62 °C (lit.)

application(s)

agriculture
cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

mass shift

M+5

Quality Level

100

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General description

2,4,6-Trichloroanisole-d5 is a deuterium labeled analog of 2,4,6-trichloroanisole belonging to the class of chloroanisole, a major contaminant in wine industry.

Application

2,4,6-Trichloroanisole-d5 may be used as an internal standard for the quantification of 2,4,6-trichloroanisole in drinking water samples using gas chromatography coupled to mass spectrometry equipped with a thermal desorption unit (TDSA) and a PTV (programmable temperature vaporizer) injector.
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

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 4 - Eye Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCP3461
BCCJ0867
BCCF9002
BCBV3735
BCBS2428V

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On-tap passive enrichment, a new way to investigate off-flavor episodes in drinking water.
Tondelier C, et al.
Journal of Chromatography A, 1216(14), 2854-2859 (2009)
Navideh Sadoughi et al.
Journal of agricultural and food chemistry, 63(11), 2877-2885 (2015-02-24)
An optimized method for the quantitation of volatile compounds responsible for off-aromas, such as earthy odors, found in wine and grapes was developed. The method involved a fast and simple headspace solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS) for simultaneous determination of

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