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