1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-

Basic Information

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CAS Number

40601-76-1

Molecular Formula

C42H57N3O6

Molecular Weight

699.92 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

163-165 °C

Boiling Point

793.8±60.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Flash Point

433.9±32.9 °C

Refractive Index

1.592

Vapor Pressure

0.0±2.9 mmHg at 25°C

SMILES

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Cc1cc(c(c(c1Cn1c(=O)n(Cc2c(C)cc(c(c2C)O)C(C)(C)C)c(=O)n(c1=O)Cc1c(C)cc(c(c1C)O)C(C)(C)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

InChIKey

XYXJKPCGSGVSBO-UHFFFAOYSA-N

LogP

7.17642000000001

Topological Polar Surface Area

126.69 Å²

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

1090

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

tris(4-tert-butyl-3-hydroxy-2,6-dimethyl-benzyl)
Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate
Antioxidant 1790
Cyanox 1790
Irganox 3790
Primanox1790
DEOX-1790
1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6-(1H,3H,5H)-trione
1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethyl benzyl)–1,3,5-triazine-2,4,6-(1H,3H,5H)-trione
Antioxidant-1790
Mezlocillin Sodium
1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6-(1h (3h,5h)-trione
1,3,5-tris[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
Isocyanuric Acid Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) Ester
Thanox 1790
Irganox 1790
1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6-(1H,3H,5H)-trione

MDL Number

MFCD01026105

Customs Code

29336990

FAQ

What is 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl] (CAS: 40601-76-1)?

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl] is a complex organic compound with a molecular structure featuring a triazine ring and multiple substituents, including phenyl and dimethyl groups. It is used in various applications and is of interest in pharmaceutical and research fields due to its unique chemical properties.

What are the main uses of 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl] (CAS: 40601-76-1)?

This compound is primarily used in pharmaceuticals as a precursor for drug synthesis, in research for studying chemical reactions, and in some industrial applications where its unique chemical properties are beneficial.

Is 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl] (CAS: 40601-76-1) safe?

The compound is generally considered safe under normal handling conditions. However, it is important to follow safety guidelines such as wearing appropriate personal protective equipment (PPE) and ensuring proper ventilation. Toxicity data indicates that it is non-toxic by ingestion, but skin contact and inhalation may cause irritation. Follow safety standards and use in accordance with regulatory guidelines.

How should 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl] (CAS: 40601-76-1) be stored?

Store in a cool, dry place, away from direct sunlight and heat sources. Maintain containers tightly sealed to prevent moisture and air exposure. Store at room temperature (15-25°C) and avoid extremes in temperature and humidity. Use suitable, airtight containers to preserve the compound's stability and prevent degradation.