Pentaerythritol Tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)

Product Information

Molecular Formula:
C73H108O12
Molecular Weight:
1177.63
Description
Hindered phenolic antioxidant for polymers
Synonyms
Irganox 1010; Tetrakis[methylene-3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]methane; 2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate); Pentaerythritol, tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate); A 01010; A 1010 (antioxidant); Antioxidant 1010; Carbyltetramethylene tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate); Pentaerythritol tetrakis[β-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate]; Phenosane 23; Tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamoyloxymethyl)methane; Thanox 1010; Ultranox 210; X 001
IUPAC Name
[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Canonical SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCC(COC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)(COC(=O)CCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)COC(=O)CCC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C73H108O12/c1-65(2,3)49-33-45(34-50(61(49)78)66(4,5)6)25-29-57(74)82-41-73(42-83-58(75)30-26-46-35-51(67(7,8)9)62(79)52(36-46)68(10,11)12,43-84-59(76)31-27-47-37-53(69(13,14)15)63(80)54(38-47)70(16,17)18)44-85-60(77)32-28-48-39-55(71(19,20)21)64(81)56(40-48)72(22,23)24/h33-40,78-81H,25-32,41-44H2,1-24H3
InChI Key
BGYHLZZASRKEJE-UHFFFAOYSA-N
Boiling Point
1005.8±60.0°C at 760 mmHg
Melting Point
119-122°C
Flash Point
235.4 °F
Purity
95%
Density
0.57 g/cm3
Solubility
Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly)
Appearance
White to slightly yellowish crystalline powder
Storage
Store at -20°C
Refractive Index
n20/D 1.542 (lit.)
LogP
23
Vapor Pressure
negligible

Safety Information

Hazards
H413:
May cause long-lasting harmful effects to aquatic life.
Precautionary Statement
P273:
Avoid release to the environment.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3
19.4
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
12
Rotatable Bond Count
32
Exact Mass
1176.78407888 g/mol
Monoisotopic Mass
1176.78407888 g/mol
Topological Polar Surface Area
186Ų
Heavy Atom Count
85
Formal Charge
0
Complexity
1730
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

Patents

Publication Number Title Priority Date
EP-3842470-A1 Polyamide moulding compositions for hypochlorite resistant applications 2019-12-23
EP-3842496-A1 Polyamide moulding compositions for hypochlorite resistant applications 2019-12-23
US-2021189124-A1 Polyamide molding compounds for hypochlorite-resistant applications 2019-12-23
US-2021189125-A1 Polyamide molding compounds for applications resistant to hypochlorite 2019-12-23
EP-3838986-A1 Polypropylene-based composite material comprising atactic polypropylene as additive and conductive article made of 2019-12-20
EP-3839002-A1 Hot-melt adhesive composition 2019-12-20
EP-3839009-A1 Liquid-crystalline medium and liquid-crystal display comprising the same 2019-12-20
US-2021189241-A1 Liquid-crystalline medium and liquid-crystal display comprising the same 2019-12-20
WO-2021121677-A1 Retinol-based serum 2019-12-20
WO-2021123070-A1 Hot-melt adhesive composition 2019-12-20

Literatures

PMID Publication Date Title Journal
27633901 2016-12-01 Screening of endocrine activity of compounds migrating from plastic baby bottles using a multi-receptor panel of in vitro bioassays Toxicology in vitro : an international journal published in association with BIBRA
21744861 2011-08-15 Molecular depth profiling by wedged crater beveling Analytical chemistry
19957960 2010-01-01 Organic depth profiling of a nanostructured delta layer reference material using large argon cluster ions Analytical chemistry
19039819 2008-12-01 Cluster ion beam profiling of organics by secondary ion mass spectrometry--does sodium affect the molecular ion intensity at interfaces? Rapid communications in mass spectrometry : RCM
17448492 2007-07-15 Interfacial behavior of common food contact polymer additives Journal of colloid and interface science
16536417 2006-03-15 TOF-SIMS analysis using C60. Effect of impact energy on yield and damage Analytical chemistry
14670048 2003-12-15 Sample metallization for performance improvement in desorption/ionization of kilodalton molecules: quantitative evaluation, imaging secondary ion MS, and laser ablation Analytical chemistry
12711176 2003-05-12 Migration of antioxidant additives from various polyolefinic plastics into oleaginous vehicles International journal of pharmaceutics
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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