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Pentaerythritol Tetrakis(3,5-Di-Tert-Butyl-4-Hydroxyhydrocinnamate)

CAS: 6683-19-8 | C73H108O12

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 6683-19-8
Molecular Formula: C73H108O12
Molecular Weight: 1177.6549999999988 g/mol

Names and Synonyms:

Pentaerythritol Tetrakis(3,5-Di-Tert-Butyl-4-Hydroxyhydrocinnamate)
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1′-[2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl] ester
Tetrakis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionyloxymethyl]methane
Pentaerythritol tetrakis[3-(4-hydroxy-3,5-di-tert-butylphenyl)propionate]
Pentaerythritol 3-(4-hydroxy-3,5-di-tert-butylphenyl)propionate (1:4)
Tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamoyloxymethyl)methane
Tetrakis[3-(4-hydroxy-3,5-di-tert-butylphenyl)propionyloxymethyl]methane
Pentaerythritol tetrakis(4-hydroxy-3,5-di-tert-butyl)hydrocinnamate
Pentaerythrityl tetra-β-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate
Pentaerythritol tetrakis[β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
Pentaerythrityl β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
Carbyltetramethylene tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)
IRG 1010
Neopentanetetrayl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate
Tetrakis[methylene-3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propionato]methane
Tetraalkofen BPE
Tetrakis[[[β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionyl]oxy]methyl]methane
Fenozan 22
Pentaerythritol tetrakis ester with 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionic acid
Irganox 1040
Fenozan 23
Phenosane 23
RA 1010
Pentaerythrityl tetrakis(4-hydroxy-3,5-di-tert-butylphenylpropionate)
Pentaerythritol tetrakis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate]
Mark AO 60
Anox 20
Naugard 10
Pentaerythrityl tetrakis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
Pentaerythrityl tetrakis[3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propionate]
Irganox 1010FF
Irganox 1010FP
BP 101
Sumilizer BP 101
Pentaerythrityl tetrakis(3,5-di-tert-butyl-4-hydroxy-phenyl)propionate
Ralox 630
Anox 20AM
AO 1
ADK Stab AO 60
AO 60
Pentaerytrityl tetrakis(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
Tetrakis[methylene-3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionato]methane
Tetrakis[methylene-3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propionate]methane
Dovernox 10
IR 1010
Tetrakis[methylene-3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]methane
Hostanox O 10
Antioxidant 1010
KY 7910
Tominox TT
Pentaerythritol tetra[3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propanoate]
Tominox TT 50
AO 1010
Ultranox 210
Irganox RA 1010
Tetrakis(hydroxymethyl)methane tetrakis[β-{3,5-di(tert-butyl)-4-hydroxyphenyl}propionate]
Cyanox 2110
Arenox A 10
IX 1010
Chinox 1010
A 1010
A 1010 (antioxidant)
Iruga 1010
Stabiace PH 1010
PH 1010
Irganox 1010
Irganox 101
Pentaerythritol tetrakis[β-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate]
Songnox 1010
AT 10
AT 10 (antioxidant)
Evernox 10
Tetrakis[methylene-3-(3′,5′-di-tert-butyl-4-hydroxyphenyl)propionate]methane
Irganox 1066
BC 1010
Quantox 1010
Longnox 10
Pentaerythritol tetrakis(3,5-tert-butyl-4-hydroxyhydrocinnamate)
Tinogard TT
Pentaerythritol tetra[β-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propionate]
TTHP
Irganox L 101
Antiox 10
Fero NF 130
NF 130
Ethanox 310
JY 1010
Richnox 1010
Chemnox 1010
S 1010
KY 1010
Antioxidant 7910
Evernox 1010
X 001
A 60
Pentaerythritol tetra [β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
I 1010
Thanox 1010
TEX 44
SK 1010
ADK-AO 60
L 101
Heat Stabilizer 1010
Tetrakis[methylene(3,5-di-tert-butyl-4-hydroxyhydrocinnamoyloxy)methane
Pentaerythritol tetrakis[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]]propionate
Tetra[β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]pentaerythritol
AT 1010
Tetrakis[β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionic acid]pentaerythritol ester
Pentaerythritol tetrakis (3-(3′,5′-di-tert-butyl-4-hydroxyphenyl)propionate)
Pentaerythritol tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)
Jyanox 1010
Pentaerythritol tetrakis[β-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
ADK Stab AO 60P
Rianox 1010
BASF 1010
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)
[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
AO 18
AO 60P
Antioxidant B 1010
S 67391
Hydrocinnamic acid, 3,5-di-tert-butyl-4-hydroxy-, neopentanetetrayl ester
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester
Hydrocinnamic acid, 3,5-di-tert-butyl-4-hydroxy-, tetraester with pentaerythritol
Pentaerythritol, tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)
Tetrakis[methylene(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)]methane
Pentaerythritol tetrakis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
Pentaerythrityl tetrakis[β-(4-hydroxy-3,5-di-tert-butylphenyl)propionate]
Pentaerythritol 4-hydroxy-3,5-di-tert-butylphenylpropionate
Pentaerythritol tetrakis[β-(4-hydroxy-3,5-di-tert-butylphenyl)propionate]
Pentaerythritol tetrakis[(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
Sonox 1010

Identifiers:

SMILES:
CC(C)(C)c1cc(CCC(=O)OCC(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
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

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

PubChem CAS NIST

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 1177.65 g/mol Legacy Database
density 0.57 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Pentaerythritol_tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate) None Legacy Database
cas-canonical-smile O=C(OCC(COC(=O)CCC=1C=C(C(O)=C(C1)C(C)(C)C)C(C)(C)C)(COC(=O)CCC=2C=C(C(O)=C(C2)C(C)(C)C)C(C)(C)C)COC(=O)CCC=3C=C(C(O)=C(C3)C(C)(C)C)C(C)(C)C)CCC=4C=C(C(O)=C(C4)C(C)(C)C)C(C)(C)C None Legacy Database
cas-density 0.57 g/cm3 None Legacy Database
cas-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 None Legacy Database
cas-inchi-key InChIKey=BGYHLZZASRKEJE-UHFFFAOYSA-N None Legacy Database
cas-melting-point 119-122 °C None Legacy Database
cas-name Antioxidant 1010 None Legacy Database
wikipedia-name Pentaerythritol tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate) None Legacy Database
LogP 15.879199999999964 RDKit

Molecular

Property Value Source
Molecular Weight 1177.6549999999988 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 1176.784078896 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 85 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 12 count RDKit
Hydrogen Bond Donors 4 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 20 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 4 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 186.11999999999998 Ų RDKit

Molar

Property Value Source
Molar Refractivity 341.5802000000006 RDKit

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