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413283

Sigma-Aldrich

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

99%

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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
Linear Formula:
(CH3)3C6[CH2C6H2[C(CH3)3]2OH]3
CAS Number:
1709-70-2
Molecular Weight:
775.20
EC Number:
216-971-0
MDL number:
MFCD00026284
UNSPSC Code:
12162002
PubChem Substance ID:
24865854
NACRES:
NA.23

Quality Level

100

Assay

99%

form

powder

mp

248-250 °C (lit.)

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

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

InChI key

VSAWBBYYMBQKIK-UHFFFAOYSA-N

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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.

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.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

WGK

WGK 1

Flash Point(F)

609.8 °F

Flash Point(C)

321 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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)
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)
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)
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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