tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanur

Inquiry

Molecular Formula:

C48H69N3O6

Molecular Weight:

784.08

CAS Number:

27676-62-6

Catalog Number:

27676-62-6

Product Information

Molecular Formula:

C48H69N3O6

Molecular Weight:

784.08

Description

Tris(3,5-di-tert-butyl-4-hydroxybenzyl) Isocyanurate is used an as Antioxidants-stabilizer in polyolefin films intended for packaging nonfatty food as well as an Antioxidants in propylene copolymers.

Synonyms

1,3,5-triazine-2,4,6(1h,3h,5h)-trione,1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4; 3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]1; Antioxidant3114; -hydroxyphenyl]methyl]-; tris(3,5-di-tert-butyl-4-hydroxyben

IUPAC Name

1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione

Canonical SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2C(=O)N(C(=O)N(C2=O)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)CC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C48H69N3O6/c1-43(2,3)31-19-28(20-32(37(31)52)44(4,5)6)25-49-40(55)50(26-29-21-33(45(7,8)9)38(53)34(22-29)46(10,11)12)42(57)51(41(49)56)27-30-23-35(47(13,14)15)39(54)36(24-30)48(16,17)18/h19-24,52-54H,25-27H2,1-18H3

InChI Key

VNQNXQYZMPJLQX-UHFFFAOYSA-N

Boiling Point

757.9ºC at 760 mmHg

Melting Point

218-224ºC

Flash Point

289ºC

Purity

98%

Density

1.12 g/cm3

Appearance

White to Light yellow powder to crystal

Refractive Index

1.566

LogP

9.21840

Vapor Pressure

8.89E-24mmHg at 25°C

Computed Properties

XLogP3

12.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

783.51863693 g/mol

Monoisotopic Mass

783.51863693 g/mol

Topological Polar Surface Area

122Å²

Heavy Atom Count

Formal Charge

Complexity

1170

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(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanur

Product Information

Computed Properties

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