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

Base Information

• Chemical Name: Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)
• CAS No.: 6683-19-8
• Deprecated CAS: 103843-13-6,12634-41-2,127337-64-8,137500-49-3,145526-73-4,154508-64-2,156511-60-3,5106-16-1,60005-82-5,67894-72-8,68882-58-6,70695-00-0,98584-37-3,132503-83-4,678997-54-1,702667-02-5,131611-06-8,913283-07-5,1209496-25-2,1234384-04-3,245440-68-0,937248-86-7,1427306-01-1,1801141-34-3,2042682-13-1,2091249-41-9,2169243-97-2,2179083-74-8,502635-12-3,869093-09-4,2135747-59-8,2231695-62-6,1209496-25-2,1234384-04-3,12634-41-2,127337-64-8,131611-06-8,132503-83-4,137500-49-3,1427306-01-1,145526-73-4,154508-64-2,156511-60-3,1801141-34-3,2042682-13-1,245440-68-0,502635-12-3,5106-16-1,60005-82-5,67894-72-8,678997-54-1,68882-58-6,702667-02-5,70695-00-0,937248-86-7,98584-37-3
• Molecular Formula: C73H108O12
• Molecular Weight: 1177.65
• Hs Code.: 2907.19
• European Community (EC) Number: 229-722-6
• ICSC Number: 1701
• UNII: 255PIF62MS
• DSSTox Substance ID: DTXSID1027633
• Nikkaji Number: J46.615H
• Wikipedia: Pentaerythritol_tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)
• Wikidata: Q27253913
• RXCUI: 1369405
• ChEMBL ID: CHEMBL3187856
• Mol file: 6683-19-8.mol

Synonyms:Irganox 1010;phenosan-23

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

Chemical Property:

• Appearance/Colour: white to slightly yellowish crystalline powder
• Melting Point: 115-118 °C (dec.)(lit.)
• Refractive Index: 1.6390 (estimate)
• Boiling Point: 1005.8 °C at 760 mmHg
• PKA: 11.71±0.40(Predicted)
• Flash Point: 247.3 °C
• PSA: 186.12000
• Density: 1.077 g/cm³
• LogP: 15.87920
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 19.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 32
• Exact Mass: 1176.78407888
• Heavy Atom Count: 85
• Complexity: 1730

Purity/Quality:

Pentaerythritol Tetrakis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Organic Compounds
• 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
• Inhalation Risk: A nuisance-causing concentration of airborne particles can be reached quickly when dispersed.
• Effects of Short Term Exposure: May cause mechanical irritation to the eyes and respiratory tract.
• Uses: Pentaerythritol Tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate) is an antioxidant used in food packaging to prevent the spoilage and increase the shelf life of food products. It can be found mainly in food packages made of LDPE, HDPE, PP, PVC and PET. Pentaerythritol Tetrakis(3-?(3,?5-?di-?tert-?butyl-?4-?hydroxyphenyl)?propionate) is an antioxidant used in food packaging to prevent the spoilage and increase the shelf life of food products. It can be found mainly in food packages made of LDPE, HDPE, PP, PVC and PET.

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

There total 7 articles about Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

Pentaerythritol (115-77-5) + methyl 3-(4-hydroxy-3,5-di-tert-butyl)phenylpropanoate (6386-38-5) → ester of 3,5-di-tert-butyl-4-hydroxyphenylpropionic acid and pentaerythritol (6683-19-8,98584-37-3)

Guidance literature:

With sodium montmorillonite; In methanol; at 130 - 140 ℃; for 7h; under 22502.3 - 30003 Torr; Reagent/catalyst; Inert atmosphere;

Reference yield:

monobutyltin oxide (51590-67-1) + oxalic acid monohydrate (856335-90-5) + methyl 3-(4-hydroxy-3,5-di-tert-butyl)phenylpropanoate (6386-38-5) → ester of 3,5-di-tert-butyl-4-hydroxyphenylpropionic acid and pentaerythritol (6683-19-8,98584-37-3)

Guidance literature:

With nitrogen; In water;

Reference yield:

Pentaerythritol (115-77-5) + Formaldehyd-bis(pentaerythrityl)acetal (6228-26-8) + methyl 3-(4-hydroxy-3,5-di-tert-butyl)phenylpropanoate (6386-38-5) + cellulose (9004-34-6) → ester of 3,5-di-tert-butyl-4-hydroxyphenylpropionic acid and pentaerythritol (6683-19-8,98584-37-3)

Guidance literature:

With oxalic acid; di(n-butyl)tin oxide; In toluene;

upstream raw materials:

C₇₃H₁₀₇O₁₂

tetrahydroxymethane

methyl 3-(4-hydroxy-3,5-di-tert-butyl)phenylpropanoate

Pentaerythritol

Downstream raw materials:

methyl 3-(4-hydroxy-3,5-di-tert-butyl)phenylpropanoate

3,5-bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid hydrazide

Refernces

• 1、 -. "Method for preparing hindered phenol antioxygen 1010". Paragraph 0031; 0032; 0033; 0034; 0035; 0036; 0037-0050. . Retrieved 2017/08/29.
• 2、 -. "PREPARATION OF TETRAKIS [3-(E,5-DI-TERT-BUTYL-4-HYDROXY PHENYL) PROPIONYL OXYMETHYL] METHANE". Page/Page column 10. . Retrieved 2008/06/13.