1,3,5-Tris[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzyl]-1,3,5-triazinane-2,4,6-trione

Basic Information

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CAS Number

27676-62-6

Molecular Formula

C48H69N3O6

Molecular Weight

784.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

220.0 to 224.0 deg-C

Boiling Point

757.9°C at 760 mmHg

Flash Point

289 ºC

Refractive Index

1.566?

SMILES

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CC(c1cc(cc(c1O)C(C)(C)C)Cn1c(=O)n(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)c(=O)n(c1=O)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(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

InChIKey

VNQNXQYZMPJLQX-UHFFFAOYSA-N

LogP

9.218400000000004

Topological Polar Surface Area

126.69000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

1170

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione
Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate
RALOX 3114
Tris-(3,5-di-t-butyl-4-hydroxybenzyl)-isocyanurate
Tris(3,5-Di-Tert-4-Hydroxybenzyl)Isocyanurate
Antioxidant 3114
Irganox 3114
Primanox3114
1,3,5-Tris(3,5-di-tert-butyl-4-hydroxy benzyl)-s-trizine-2,4,6-(1H,3H,5H)trione
Antioxidant-3114
Tris(3,5-di-(tert)-butyl-4-hydroxybenzyl) isocyanurate
Ethanox? 314
Irganox? 3114 FF
1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazine-2,4,6-(1H,3H,5H)-trione
AgeRite GT
At 3114
Goodrite 3114
Irganox 3114 FF
Mark AO-20
Plastic additive 13
Thanox3114
TTIC
VANOX GT
1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-s-triazine-2,4,6(1H,3H,5H)-trione
Isocyanuric Acid Tris(3,5-di-tert-butyl-4-hydroxybenzyl) Ester
s-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)- (8CI)
1,3,5-Tri(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate
1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate
1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-s-triazin-2,4,6(1H,3H,5H)-trione
1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-s-triazinetrione

MDL Number

MFCD00134700

Customs Code

2933699090

FAQ

What is 1,3,5-Tris[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzyl]-1,3,5-triazinane-2,4,6-trione (CAS: 27676-62-6)?

1,3,5-Tris[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzyl]-1,3,5-triazinane-2,4,6-trione (CAS: 27676-62-6) is a complex organic compound containing a triazine ring with three hydroxybenzyl groups. It is known for its structural versatility and is often used in chemical synthesis. The compound is characterized by its high molecular weight and multifunctional groups, making it suitable for various applications in chemistry and related fields.

What are the main uses of 1,3,5-Tris[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzyl]-1,3,5-triazinane-2,4,6-trione (CAS: 27676-62-6)?

This compound is primarily used in pharmaceutical research for the development of drug molecules, particularly those targeting biological systems with multiple functional groups. It also finds applications in industrial chemistry as a building block for complex organic syntheses. In research settings, it serves as a versatile intermediate for creating new materials and compounds with tailored properties.

Is 1,3,5-Tris[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzyl]-1,3,5-triazinane-2,4,6-trione (CAS: 27676-62-6) safe?

1,3,5-Tris[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzyl]-1,3,5-triazinane-2,4,6-trione (CAS: 27676-62-6) is generally considered safe when handled properly. However, it is important to follow standard safety protocols, such as wearing gloves, goggles, and a lab coat. It should be stored in a well-ventilated area and kept away from open flames. Safety data sheets (SDS) should be consulted for detailed handling and exposure guidelines.

How should 1,3,5-Tris[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzyl]-1,3,5-triazinane-2,4,6-trione (CAS: 27676-62-6) be stored?

This compound should be stored in a cool, dry, and dark place to maintain its stability. It is recommended to keep it in a sealed container at a temperature below 25°C and away from moisture and light exposure. Proper storage helps prevent degradation and ensures the compound remains effective for its intended applications. Always follow specific storage conditions outlined in the safety data sheet (SDS).