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235393

Sigma-Aldrich

2,4,6-Trichloroanisole

99%

Synonym(s):

2,4,6-Trichloro-1-methoxybenzene

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About This Item

Linear Formula:
Cl3C6H2OCH3
CAS Number:
87-40-1
Molecular Weight:
211.47
Beilstein/REAXYS Number:
2329219
EC Number:
201-743-5
MDL number:
MFCD00000588
UNSPSC Code:
12352100
PubChem Substance ID:
24854102
NACRES:
NA.22

Quality Level

100

assay

99%

bp

132 °C/28 mmHg (lit.)

mp

60-62 °C (lit.)

solubility

benzene: soluble(lit.)
cyclohexanone: soluble(lit.)
dioxane: soluble(lit.)
methanol: soluble(lit.)
water: insoluble (practically)(lit.)

functional group

chloro

SMILES string

COc1c(Cl)cc(Cl)cc1Cl

InChI

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

InChI key

WCVOGSZTONGSQY-UHFFFAOYSA-N

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General description

2,4,6-Trichloroanisole (TCA) is responsible for the cork taint in wines. TCA has been quantitated in bark cork stoppers by supercritical fluid extraction (SFE) method. Degradation of TCA catalyzed by raw bauxite via ozonation in water has been investigated.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

Storage Class

11 - Combustible Solids

wgk_germany

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
MKCR0060
MKCR0061
MKCP6055
MKCM8897
MKCM0668

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Fei Qi et al.
Journal of hazardous materials, 168(1), 246-252 (2009-03-11)
A kind of inexpensive and environmental friendly mineral, the raw bauxite has been used successfully as a catalyst combined with ozonation in the degradation of 2,4,6-trichloroanisole (TCA). The catalyst was characterized by using various analytical techniques. X-ray powder diffraction (XRD)
M K Taylor et al.
Journal of agricultural and food chemistry, 48(6), 2208-2211 (2000-07-11)
2,4,6-Trichloroanisole (TCA) is the compound most often associated with cork taint in wines and has been shown to have a very low sensory threshold ( approximately 5 ng/L in wine). A supercritical fluid extraction (SFE) method for TCA in bark

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