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
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
Density
0.57 g/cm3
Solubility
Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly)
Appearance
White to slightly yellowish crystalline powder
Storage
Keep container tightly closed in a dry and well-ventilated place.
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.
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.
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 |
