Tris(3,5-di-tert-butyl-4-hydroxybenzyl)isocyanurate

• CAS: 27676-62-6
• Catalog Number: ACM27676626
• Category: Other Products
• Molecular Weight: 784.1g/mol
• Molecular Formula: C48H69N3O6
• Description: DryPowder; DryPowder, OtherSolid; DryPowder, PelletsLargeCrystals; OtherSolid
• 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-hydroxybenzyl)isocyanur;TTIC;TRIS-(3,5-DI-T-BUTYL-4-HYDROXYBENZYL) ISOCYANURATE;TRIS(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL) ISOCYANURATE
• 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
• Melting Point: 218-220°C(lit.)
• Flash Point: 289°C
• Density: 1.03g/cm³
• Complexity: 1170
• Covalently-Bonded Unit Count: 1
• EC Number: 248-597-9
• Exact Mass: 783.518637g/mol
• Formal Charge: 0
• H-Bond Acceptor: 6
• H-Bond Donor: 3
• Heavy Atom Count: 57
• Monoisotopic Mass: 783.518637g/mol
• Rotatable Bond Count: 12
• UNII: 680V3MP8YT
• XLogP3: 12.8

Custom Q&A

What is the molecular formula of Tris(3,5-di-tert-butyl-4-hydroxybenzyl)isocyanurate?

The molecular formula is C48H69N3O6.

When was the structure of Tris(3,5-di-tert-butyl-4-hydroxybenzyl)isocyanurate created and modified?

The structure was created on 2005-08-08 and modified on 2023-12-30.

What is the IUPAC name of Tris(3,5-di-tert-butyl-4-hydroxybenzyl)isocyanurate?

The IUPAC name is 1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione.

What is the InChI key of Tris(3,5-di-tert-butyl-4-hydroxybenzyl)isocyanurate?

The InChI key is VNQNXQYZMPJLQX-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in Tris(3,5-di-tert-butyl-4-hydroxybenzyl)isocyanurate?

There are 3 hydrogen bond donor counts.

How many hydrogen bond acceptor counts are there in Tris(3,5-di-tert-butyl-4-hydroxybenzyl)isocyanurate?

There are 6 hydrogen bond acceptor counts.

What is the topological polar surface area of Tris(3,5-di-tert-butyl-4-hydroxybenzyl)isocyanurate?

The topological polar surface area is 122?2.

How many rotatable bond counts are there in Tris(3,5-di-tert-butyl-4-hydroxybenzyl)isocyanurate?

There are 12 rotatable bond counts.

What is the exact mass of Tris(3,5-di-tert-butyl-4-hydroxybenzyl)isocyanurate?

The exact mass is 783.51863693 g/mol.

What is the XLogP3-AA value of Tris(3,5-di-tert-butyl-4-hydroxybenzyl)isocyanurate?

The XLogP3-AA value is 12.8.

Synthetic Use

Upstream Synthesis Route 1

• 50-00-0
• 108-80-5
• 128-39-2

• 27676-62-6

Reference: [1] Patent: CN108707122, 2018, A, . Location in patent: Paragraph 0020; 0021; 0028; 0029

Upstream Synthesis Route 2

• 50-00-0
• 108-80-5
• 128-39-2

• 27676-62-6

Reference: [1]Patent: CN108707122,2018,A .Location in patent: Paragraph 0020; 0021; 0028; 0029