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Structure

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

CAS
6683-19-8
Catalog Number
ACM6683198
Category
Polymer/Macromolecule
Molecular Weight
1177.63
Molecular Formula
C73H108O12

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Specification

Synonyms
3,5-di-tert-butyl-4-hydroxy-hydrocinnamicacineopentanetetraylester;3,5-di-tert-butyl-4-hydroxy-hydrocinnamicacitetraesterwithpentaerythr;adkstabao60;anox20;anox20am;Antioxidant1010;ao3;ao60
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 Key
BGYHLZZASRKEJE-UHFFFAOYSA-N
Boiling Point
1005.8ºC at 760 mmHg
Melting Point
115-118ºC (dec.)
Flash Point
247.3ºC
Density
1.077 g/cm³
Appearance
White to slightly yellowish crystalline powder
EC Number
229-722-6
Exact Mass
1176.78000
H-Bond Acceptor
12
H-Bond Donor
4
Safety Description
S22-S24/25
WGK Germany
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What is the molecular formula of Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)?

The molecular formula is C73H108O12.

What is the molecular weight of Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)?

The molecular weight is 1177.6 g/mol.

What is the IUPAC name of Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)?

The IUPAC name is [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.

What is the InChI of Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)?

The InChI is 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.

What is the InChI Key of Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)?

The InChI Key is BGYHLZZASRKEJE-UHFFFAOYSA-N.

What is the canonical SMILES of Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)?

The canonical SMILES is 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.

What is the CAS number of Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)?

The CAS number is 6683-19-8.

What is the European Community (EC) number of Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)?

The European Community (EC) number is 229-722-6.

What is the ChEMBL ID of Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)?

The ChEMBL ID is CHEMBL3187856.

What is the Wikipedia page for Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)?

The Wikipedia page is "Pentaerythritol_tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)".

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