CAS No.6683-19-8,Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6683-19-8
Name:	Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)
Article Data:	20
Cas Database

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
Solubility:	N/A
Appearance:	white to slightly yellowish crystalline powder
Hazard Symbols:	N/A
Risk Codes:	N/A
Safety:	22-24/25
Transport Information:	N/A
PSA:	186.12000
LogP:	15.87920

Synthetic route

: 115-77-5
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

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

B: C73H106O12

Conditions

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

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

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

Conditions	Yield
With nitrogen In water

...Expand

Raw Materials

115-77-5

463-84-3

Downstream Products

6386-38-5

32687-77-7

Total:226 Page 1 of 6 1 2 3 4 5 6 Next>>

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Consensus Reports

Reported in EPA TSCA Inventory.

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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