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Merck
CN

452505

2,6-Di(tert-butyl-d9)-4-methyl(phenol-3,5,O-d3)

≥98 atom % D, ≥98% (CP)

Synonym(s):

BHT-d21

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About This Item

Linear Formula:
[(CD3)3C]2C6D2(CH3)OD
CAS Number:
64502-99-4
Molecular Weight:
241.48
UNSPSC Code:
12352202
PubChem Substance ID:
24868708
MDL number:
MFCD00209760

Key Documents

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Product Name

2,6-Di(tert-butyl-d9)-4-methyl(phenol-3,5,O-d3), ≥98 atom % D, ≥98% (CP)

InChI

1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3/i2D3,3D3,4D3,5D3,6D3,7D3,8D,9D/hD

SMILES string

[2H]Oc1c(c([2H])c(C)c([2H])c1C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI key

NLZUEZXRPGMBCV-YLENQQAOSA-N

isotopic purity

≥98 atom % D

assay

≥98% (CP)

form

solid

bp

265 °C (lit.)

mp

69-71 °C (lit.)

mass shift

M+21

Quality Level

200

Related Categories

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

pictograms

Environment
GHS09

signalword

Warning

hcodes

H410

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

260.6 °F - closed cup

flash_point_c

127.00 °C - closed cup

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MBBF0288
MBBD7814
MBBD7434
MKCH8400
MBBB3814V

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Runzeng Liu et al.
Environmental pollution (Barking, Essex : 1987), 221, 227-233 (2016-12-06)
In this study, seven synthetic phenolic antioxidant (SPA) analogues were positively found in urban and rural indoor dust samples collected from Shandong province in China, among which the novel 2,4,6-tri-tert-butylphenol (AO 246), 2,6-di-tert-butyl-4-sec-butylphenol (DTBSBP), 2,4-di-tert-butylphenol (DBP) and 4,4'-butylidenebis (2-(1,1-dimethylethyl)-5- methyl-phenol)
Wei Wang et al.
Environment international, 128, 24-29 (2019-04-29)
Synthetic phenolic antioxidants (SPAs) such as 2,6-di-tert-butyl-4-hydroxytoluene (butylated hydroxytoluene, BHT), are used in a wide variety of consumer products, including certain foodstuffs (e.g. fats and oils) and cosmetics. Although BHT is considered generally safe as a food preservative when used
Wei Wang et al.
Environmental science & technology, 50(1), 428-434 (2015-12-03)
Synthetic phenolic antioxidants (SPAs), including 2,6-di-tert-butyl-4-hydroxytoluene (BHT), are extensively used in food, cosmetic and plastic industries. Nevertheless, limited information is available on human exposures, other than the dietary sources, to SPAs. In this study, occurrence of 9 SPAs and their
Ruirui Zhang et al.
Journal of agricultural and food chemistry, 68(16), 4670-4677 (2020-02-18)
One typical synthetic phenolic antioxidant 2,6-di-tert-butyl-hydroxytoluene (BHT) is widely used in foodstuff. Concerns are rising on the toxicity of BHT and its metabolites through dietary exposure. In this study, the effects of food macronutrients (i.e., lipid, carbohydrate, fiber, protein, and
Lucia Gusmaroli et al.
Analytical and bioanalytical chemistry, 410(17), 4165-4176 (2018-04-25)
During the last decades, the quality of aquatic ecosystems has been threatened by increasing levels of pollutions, caused by the discharge of man-made chemicals, both via accidental release of pollutants as well as a consequence of the constant outflow of
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