Antioxidant 330

Product Information

Molecular Formula:
C54H78O3
Molecular Weight:
775.21
Description
Antioxidant 330 is an antioxidant that could be used in sorts of areas or materials as an stablizer.
Synonyms
Ionox 330; 4,4',4''-[(2,4,6-Trimethyl-1,3,5-benzenetriyl)tris(methylene)]tris[2,6-bis(1,1-dimethylethyl)phenol; 1,3,5-Dimethyl-2,4,6-tris(3,5-tert-butyl-4-hydroxybenzyl)benzene; 1,3,5-Trimethyl-2,4,6-tri(3,5-di-tert-butyl-4-hydroxybenzyl)benzene; 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-2,4,6-trimethylbenzene; 1,3,5-Trismethyl-2,4,6-tris(3,5-tert-butyl-4-hydroxybenzyl)benzene; 2,4,6-Bis(4-hydroxy-3,5-di-tert-butylbenzyl)mesitylene; ADK Stab A 330; ADK Stab AO 330; Agidol 40; Alvinox 100; Anox 330; Anox 330TDS; Antioxidant 1330; Antioxidant 40; AO 13; AO 1330; AO 330; AO 40; AT 330; Chinox 1330; Ethanox 300; Ethanox 330; Ethyl 330; Ethyl Antioxidant 330; Good-rite 1330; Ionox 330; IR 1330; Irg 1330; Irganox 1330; Irganox 330; KY 1330; Mark AO 330; NSC 85846; Rianox 330; Seenox 326M; Songnox 1330; Yoshinox 1330
IUPAC Name
4-[[3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2,6-ditert-butylphenol
Canonical SMILES
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
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
InChI Key
VSAWBBYYMBQKIK-UHFFFAOYSA-N
Boiling Point
730.0±55.0°C at 760 mmHg
Melting Point
244°C
Flash Point
235.4 °F
Purity
98%
Density
1.004±0.06 g/cm3
Solubility
Soluble in Chloroform (Slightly), Methanol (Very Slightly, Heated, Sonicated)
Appearance
White to Off-white Solid
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.
Storage
Store at 2-8°C
Refractive Index
n20/D 1.542 (lit.)
LogP
14.28600
Vapor Pressure
5.02E-22mmHg at 25°C

Safety Information

Hazards
H302:
Harmful if swallowed.
Precautionary Statement
P264:
Wash thoroughly after handling.
P270:
Do not eat, drink or smoke when using this product.
P301+P312+P330:
IF SWALLOWED:
Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3
17.7
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
12
Exact Mass
774.59509635 g/mol
Monoisotopic Mass
774.59509635 g/mol
Topological Polar Surface Area
60.7Ų
Heavy Atom Count
57
Formal Charge
0
Complexity
1030
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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