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| CAS No.: | 6683-19-8 |
|---|---|
| Name: | Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate) |
| Molecular Structure: | |
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| Formula: | C73H108O12 |
| Molecular Weight: | 1177.65 |
| Synonyms: | Ralox 630;Irganox 1040;Hostanox O 10;Sumilizer BP 101;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;Anox 20AM;Fenozan 23;Tetrakis[methylene(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)]methane;Dovernox 10;Tetrakis [methylene(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)]methane;Irganox 1010FF;Naugard 10;Tetraalkofen BPE;Irganox 1010FP;Tominox TT;Anox 20;Antioxidant 1010;Fenozan 22;CSFC 110;Antioxidant1010;Irganox 1010;Pentaerythritol Tetrakis;Eunox AO-1010;Tetrakis[methylene-3(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate]methane;Pentaerythritol tetrakis [3-(3,5-ditertbutyl-4-hydroxy phenyl ) propionate];AO3;Tetrakis [methylene-3 (3?5?di-t-butyl-4-hydroxyphenyl) propionate] methane;Tetrakis [methylene (3,5-di-t-butyl-4-hydroxyhydrocinnamate)] methane;Tetrakis methylene (3,5-di-t-butyl-4-hydroxyhydrocinnamate) methane;Bostex 537;AO 1010;Pentaerythrityl tetrakis-(3,5-di-tert-butyl-4-hydroxyphenyl)-propionate; |
| EINECS: | 229-722-6 |
| Density: | 1.077 g/cm3 |
| Melting Point: | 115-118 °C (dec.)(lit.) |
| Boiling Point: | 1005.8 °C at 760 mmHg |
| Flash Point: | 247.3 °C |
| Appearance: | white to slightly yellowish crystalline powder |
| Safety: | 22-24/25 |
| PSA: | 186.12000 |
| LogP: | 15.87920 |
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Pentaerythritol
- 6386-38-5
methyl 3-(4-hydroxy-3,5-di-tert-butyl)phenylpropanoate
- 6683-19-8
ester of 3,5-di-tert-butyl-4-hydroxyphenylpropionic acid and pentaerythritol
| Conditions | Yield |
|---|---|
| With sodium montmorillonite In methanol at 130 - 140℃; under 22502.3 - 30003 Torr; for 7h; Reagent/catalyst; Inert atmosphere; | 98% |
| With 1-butyl-3-methylimidazolium hydroxide at 185℃; for 7h; Temperature; Reagent/catalyst; | 96.7% |
| With sodium carbonate; potassium carbonate; phenol at 140 - 145℃; under 19.502 - 97.5098 Torr; for 10h; | 52% |
- 57852-58-1
C73H107O12
A
- 6683-19-8
ester of 3,5-di-tert-butyl-4-hydroxyphenylpropionic acid and pentaerythritol
| Conditions | Yield |
|---|---|
| Rate constant; Thermodynamic data; rate constant of the disproportionation; |
- 463-84-3
tetrahydroxymethane
- 6386-38-5
methyl 3-(4-hydroxy-3,5-di-tert-butyl)phenylpropanoate
- 6683-19-8
ester of 3,5-di-tert-butyl-4-hydroxyphenylpropionic acid and pentaerythritol
| Conditions | Yield |
|---|---|
| Neat (no solvent); |
- 84633-54-5
tris[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyloxymethyl](hydroxymethyl)methane
- 6386-38-5
methyl 3-(4-hydroxy-3,5-di-tert-butyl)phenylpropanoate
- 6683-19-8
ester of 3,5-di-tert-butyl-4-hydroxyphenylpropionic acid and pentaerythritol
| Conditions | Yield |
|---|---|
| lithium hydroxide; zinc(II) octanoate at 175℃; for 3 - 27h; Product distribution / selectivity; | |
| zinc diacetate; lithium acetate at 180℃; for 1 - 23.5h; Product distribution / selectivity; | |
| zinc(II) acetylacetonate; lithium acetate for 4 - 10h; Product distribution / selectivity; |
- 51590-67-1
monobutyltin oxide
- 856335-90-5
oxalic acid monohydrate
- 6386-38-5
methyl 3-(4-hydroxy-3,5-di-tert-butyl)phenylpropanoate
- 6683-19-8
ester of 3,5-di-tert-butyl-4-hydroxyphenylpropionic acid and pentaerythritol
| Conditions | Yield |
|---|---|
| With nitrogen In water |
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Consensus Reports
Specification
The 3,5-Di-tert-butyl-4-hydroxy-hydrocinnamic acid, neopentanetetrayl ester , with cas registry number of 6683-19-8, has other registry numbers including (1) 103843-13-6 ; (2) 12634-41-2 ; (3) 127337-64-8 ; (4) 131611-06-8 ; (5) 132503-83-4 ; (6) 137500-49-3 ; (7) 145526-73-4 ; (8) 154508-64-2 ; (9) 156511-60-3 ; (10) 5106-16-1 ; (11) 60005-82-5 ; (12) 67894-72-8 ; (13) 678997-54-1 ; (14) 68882-58-6 ; (15) 702667-02-5 ; (16) 70695-00-0 ; (17) 913283-07-5 ; (18) 98584-37-3. Its systematic name is called 3-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}-2,2-bis({[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}methyl)propyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate .
Physical properties about this chemical are: (1) ACD/LogP: 18.89 ; (2) # of Rule of 5 Violations: 3 ; (3) ACD/LogD (pH 5.5): 18.89 ; (4) ACD/LogD (pH 7.4): 18.89 ; (5) ACD/BCF (pH 5.5): 1000000 ; (6) ACD/BCF (pH 7.4): 1000000 ; (7) ACD/KOC (pH 5.5): 10000000 ; (8) ACD/KOC (pH 7.4): 10000000 ; (9) #H bond acceptors: 12 ; (10) #H bond donors: 4 ; (11) #Freely Rotating Bonds: 36 ; (12) Index of Refraction: 1.535 ; (13) Molar Refractivity: 340.44 cm3 ; (14) Molar Volume: 1093.1 cm3 ; (15) Surface Tension: 39.2 dyne/cm ; (16) Density: 1.077 g/cm3 ; (17) Flash Point: 247.3 °C ; (18) Enthalpy of Vaporization: 151.83 kJ/mol ; (19) Boiling Point: 1005.8 °C at 760 mmHg ; (20) Melting point: 115-118 °C (dec.).
Uses of 3,5-Di-tert-butyl-4-hydroxy-hydrocinnamic acid, neopentanetetrayl ester :
This chemical belongs to the classes of Aromatic Esters; Organics; Polymer Additives; Polymer Science; Stabilizers. It is widely used in hotworking of polypropylene and polyethylene, formaldehyde, ABS resin, etc. which can prolong the service life of plastic products.
When you are using this chemical, please be cautious about it as the following:
This material is low toxicity by ingestion. When heated to decomposition, it emits acrid smoke and irritating vapors. Avoid contact with skin and eyes. Do not breathe dust during use it.
You can still convert the following datas into molecular structure:
(1) SMILES:O=C(OCC(COC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)(COC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)COC(=O)CCc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)CCc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C ;
(2) InChI:InChI=1/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;
(3) InChIKey:BGYHLZZASRKEJE-UHFFFAOYAA
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LD50 | unreported | 10gm/kg (10000mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 42(7), Pg. 74, 1977. |
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