4,4',4''-[(2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene)]tris[2,6-bis(2-methyl-2-propanyl)phenol]

Basic Information

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CAS Number

1709-70-2

Molecular Formula

C54H78O3

Molecular Weight

775.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

248-250 °C

Boiling Point

739.54°C (rough estimate)

Flash Point

321℃

Refractive Index

1.5800 (estimate)

SMILES

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Cc1c(c(c(c(c1Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)C)Cc3cc(c(c(c3)C(C)(C)C)O)C(C)(C)C)C)Cc4cc(c(c(c4)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C54H78O3/c1-31-37(22-34-25-40(49(4,5)6)46(55)41(26-34)50(7,8)9)32(2)39(24-36-29-44(53(16,17)18)48(57)45(30-36)54(19,20)21)33(3)38(31)23-35-27-42(51(10,11)12)47(56)43(28-35)52(13,14)15/h25-30,55-57H,22-24H2,1-21H3

InChIKey

VSAWBBYYMBQKIK-UHFFFAOYSA-N

LogP

14.28605999999997

Topological Polar Surface Area

60.69 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

1030

Safety Information

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GHS Hazard Pictograms

H302

H315

H319

H335

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

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

Synonyms & References

English

4,4',4''-((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(2,6-di-tert-butylphenol)
2,4,6-Tris(3',5'-di-tert-butyl-4'-hydroxybenzyl)mesitylene
Antioxidant 330
Evernox 1330
1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene
2,4,6-Tris(3,5-di-tert-butyl-4-hydroxyphenyl)mesitylene
Ethanox 330
Ethanox? 330
1,3,5-TRIMETHYL-2,4,6-TRIS(3,5-DI-TERT.-BUTYL-4-HYDROXYBENZYL)-BENZENE
ahydol
ao-40
At 1330
ionox330
IRGANOX 1330
IRGANOX330
santoquinmixture6
Antioxidant 1330
ethanox330
Antioxidant 40
Ionox 330
Agidol 40
Irganox 330
Ethyl 330
Ethyl Antioxidant 330
Santoquin emulsion
Ahydol [Russian]
Santoquin mixture 6
Methylene bis ethyl butyl phenol
AO 40
1,3,5-Tris(3,5-di-tert-butyl-
antioxidant 330

MDL Number

MFCD00026284

FAQ

What is 4,4',4''-[(2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene)]tris[2,6-bis(2-methyl-2-propanyl)phenol] (CAS: 1709-70-2)?

4,4',4''-[(2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene)]tris[2,6-bis(2-methyl-2-propanyl)phenol] (CAS: 1709-70-2) is a triphenol compound with a central 1,3,5-triyl bridge connected to three substituted phenol rings. Its structure features 2,4,6-trimethylbenzene cores and tert-butyl groups on the phenolic rings, giving it high thermal stability and potential applications in polymer science. It is typically a white solid with low water solubility and is used as a building block for functional materials.

What are the main uses of 4,4',4''-[(2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene)]tris[2,6-bis(2-methyl-2-propanyl)phenol] (CAS: 1709-70-2)?

This compound is primarily used in pharmaceutical research as a precursor for drug development, in industrial applications for flame-retardant additives, and in polymer science to enhance material properties. It also serves as a key intermediate in the synthesis of specialty chemicals and has potential use in coatings and electronic materials due to its stability and functional groups.

Is 4,4',4''-[(2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene)]tris[2,6-bis(2-methy2-propanyl)phenol] (CAS: 1709-70-2) safe?

The safety of 4,4',4''-[(2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene)]tris[2,6-bis(2-methyl-2-propanyl)phenol] (CAS: 1709-70-2) depends on handling conditions. It is generally considered safe in controlled environments but requires proper protective equipment (e.g., gloves, goggles) to avoid skin or eye contact. Inhalation should be avoided, and safety data sheets (SDS) should be consulted for specific guidelines.

How should 4,4',4''-[(2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene)]tris[2,6-bis(2-methyl-2-propanyl)phenol] (CAS: 1709-70-2) be stored?

Store 4,4',4''-[(2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene)]tris[2,6-bis(2-methyl-2-propanyl)phenol] (CAS: 1709-70-2) in a sealed, airtight container at 2-8°C in a cool, dry place away from light. Maintain low humidity levels to prevent degradation and avoid storage near incompatible materials like strong oxidizers. Keep in a well-ventilated area for safety.