1,3,5-Trimethyl-2,4,6-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)Benzene

• Catalog Number: ACM1709702-4
• Product Name: 1,3,5-Trimethyl-2,4,6-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)Benzene
• CAS: 1709-70-2
• Category: Polymer/Macromolecule
• Description: 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene(HEMA) is an antioxidant that can be used to prevent the oxidative degradation of plastics.
• Synonyms: IRGANOX 1330;santoquinmixture6;ionox330;At 1330;Antioxidants 330
• IUPAC Name: 4-[[3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2,6-ditert-butylphenol
• Molecular Weight: 775.20
• Molecular Formula: C54H78O3
• Canonical SMILES: Cc1c(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c(C)c(Cc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c(C)c1Cc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C
• 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
• InChI Key: VSAWBBYYMBQKIK-UHFFFAOYSA-N
• Melting Point: 248-250ºC
• Flash Point: 240ºC
• Density: 1.004 g/cm³
• Appearance: White crystalline powder
• Application: HEMA can be used as an antioxidant in the polycondensation of poly(isosorbide maleate-co-succinate) and poly(isosorbide maleate) to prepare biobased based unsaturated polyester. It may also be used in the preparation of water soluble polyesters which can potentially be used as in drug delivery and industrial coatings.
• Assay: 99%
• Complexity: 1030
• Covalently-Bonded Unit Count: 1
• EC Number: 216-971-0
• Exact Mass: 774.595096g/mol
• Features And Benefits: 1. High quality products; 2. Fast delivery; 3. Additional products can be ordered, please contact us for details
• Formal Charge: 0
• Hazard Codes: Xi
• H-Bond Acceptor: 3
• H-Bond Donor: 3
• Heavy Atom Count: 57
• LogP: 14.28600
• MDL Number: MFCD00026284
• Monoisotopic Mass: 774.595096g/mol
• NACRES: NA.23
• NSC Number: 85846
• Packaging: Packaging; 100 g in poly bottle
• Physical State: White powder
• PSA: 6.69
• PubChem ID: 24865854
• Quality Level: 100
• Refractive Index: 1.546
• Rotatable Bond Count: 12
• UNII: 51DM34B894
• Vapor Pressure: 5.02E-22mmHg at 25°C
• WGK Germany: 1
• XLogP3: 17.7

Custom Q&A

What is the molecular formula of 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene?

The molecular formula is C54H78O3.

What is the molecular weight of 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene?

The molecular weight is 775.2 g/mol.

What is the IUPAC name of 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene?

The IUPAC name is 4-[[3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2,6-ditert-butylphenol.

What is the InChI key of 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene?

The InChI key is VSAWBBYYMBQKIK-UHFFFAOYSA-N.

What is the canonical SMILES of 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene?

The canonical SMILES is CC1=C(C(=C(C(=C1CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C)CC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C.

What is the CAS number of 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene?

The CAS number is 1709-70-2.

What is the XLogP3-AA value of 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene?

The XLogP3-AA value is 17.7.

How many hydrogen bond donor counts does 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene have?

It has 3 hydrogen bond donor counts.

How many rotatable bond counts does 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene have?

It has 12 rotatable bond counts.