tris(4-tert-butyl-3-hydroxy-2,6-dimethyl-benzyl)

Inquiry

Molecular Formula:

C42H57N3O6

Molecular Weight:

699.92

CAS Number:

40601-76-1

Catalog Number:

40601-76-1

Product Information

Molecular Formula:

C42H57N3O6

Molecular Weight:

699.92

Description

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.

Synonyms

Cyanox CY 1790; Antioxidant 1790; Irganox 3790; Lowinox 1790; 1,3,5-Tri(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione

IUPAC Name

1,3,5-tris[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]-1,3,5-triazinane-2,4,6-trione

Canonical SMILES

CC1=CC(=C(C(=C1CN2C(=O)N(C(=O)N(C2=O)CC3=C(C(=C(C=C3C)C(C)(C)C)O)C)CC4=C(C(=C(C=C4C)C(C)(C)C)O)C)C)O)C(C)(C)C

InChI

InChI=1S/C42H57N3O6/c1-22-16-31(40(7,8)9)34(46)25(4)28(22)19-43-37(49)44(20-29-23(2)17-32(41(10,11)12)35(47)26(29)5)39(51)45(38(43)50)21-30-24(3)18-33(42(13,14)15)36(48)27(30)6/h16-18,46-48H,19-21H2,1-15H3

InChI Key

XYXJKPCGSGVSBO-UHFFFAOYSA-N

Boiling Point

793.8ºC at 760mmHg

Melting Point

163-165ºC

Flash Point

235.4 °F

Purity

95%

Density

1.172g/cm3

Appearance

White to Off-White Solid

Refractive Index

n20/D 1.542 (lit.)

Computed Properties

XLogP3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

699.42473655 g/mol

Monoisotopic Mass

699.42473655 g/mol

Topological Polar Surface Area

122Å²

Heavy Atom Count

Formal Charge

Complexity

1090

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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tris(4-tert-butyl-3-hydroxy-2,6-dimethyl-benzyl)

Product Information

Computed Properties

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