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Merck
CN

413283

1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene

99%

Synonym(s):

2,4,6-Tris(3,5-di-tert -butyl-4-hydroxybenzyl)mesitylene, 3,3′,3′′,5,5′,5′′-Hexa-tert -butyl-α,α′,α′′-(mesitylene-2,4,6-triyl)tri-p -cresol, 4,4′,4′′-[(2,4,6-Trimethyl-1,3,5-benzenetriyl)tris(methylene)]tris[2,6-bis(1,1-dimethylethyl)phenol

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About This Item

Linear Formula:
(CH3)3C6[CH2C6H2[C(CH3)3]2OH]3
CAS Number:
Molecular Weight:
775.20
NACRES:
NA.23
PubChem Substance ID:
UNSPSC Code:
12162002
EC Number:
216-971-0
MDL number:
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Product Name

1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene, 99%

InChI key

VSAWBBYYMBQKIK-UHFFFAOYSA-N

InChI

1S/C54H78O3/c1-31-37(22-34-25-40(49(4,5)6)46(55)41(26-34)50(7,8)9)32(2)39(24-36-29-44(53(16,17)18)48(57)45(30-36)54(19,20)21)33(3)38(31)23-35-27-42(51(10,11)12)47(56)43(28-35)52(13,14)15/h25-30,55-57H,22-24H2,1-21H3

SMILES string

Cc1c(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c(C)c(Cc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c(C)c1Cc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C

assay

99%

form

powder

mp

248-250 °C (lit.)

Quality Level

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Application

HEMA can be used as an antioxidant in the polycondensation of poly(isosorbide maleate-co-succinate) and poly(isosorbide maleate) to prepare biobased based unsaturated polyester. It may also be used in the preparation of water soluble polyesters which can potentially be used as in drug delivery and industrial coatings.

General description

1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene(HEMA) is an antioxidant that can be used to prevent the oxidative degradation of plastics.

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

609.8 °F

flash_point_c

321 °C

ppe

dust mask type N95 (US), Eyeshields, Gloves


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Unsaturated, biobased polyesters and their cross-linking via radical copolymerization.
Jasinska L and Koning CE
Journal of Polymer Science Part A: Polymer Chemistry, 48(13), 2885-2895 (2010)
Waterborne polyesters partially based on renewable resources.
Jasinska L and Koning CE
Journal of Polymer Science Part A: Polymer Chemistry, 48(24), 5907-5915 (2010)
Identification of antioxidant and ultraviolet light stabilizing additives in plastics by liquid chromatography/mass spectrometry.
Vargo JD and Olson KL
Analytical Chemistry, 57(3), 672-675 (1985)
Simultaneous determination of antioxidants and ultraviolet absorbers by ultra-performance liquid chromatography in food simulants.
Li C, et al.
Food Analytical Methods, 7(9), 1755-1762 (2014)
E Dreassi et al.
Food additives and contaminants, 15(4), 466-472 (1998-10-09)
Irganox 1330 (1,3,5-trimethyl-2,4,5-tris(3',5'-ditert-butyl)-4'-hydroxybenzyl)- benzene) (I), an alkylphenol compound used as antioxdiant in the production of high density polyethylene (HDPE), was the subject of this study. The quantity of I given up by polyethylene samples of different thickness to aqueous and

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