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Pentaerythrittetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionat)
IRGANOX 1010 · PENTAERYTHRITYL TETRA-DI-t-BUTYL HYDROXYHYDROCINNAMATE · Pentaerythritol Tetrakis · BHPM · PENTAERYTHRITOL TETRAKIS(3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONATE) · ao60 · Antioxidant1010 · PENTAERYTHRITOL TETRAKIS(3,5-DI-TERT-BUTYL-4-HYDROXYHYDROCINNAMATE)
Identifikatoren & physikalische Daten
| CAS No. | 6683-19-8 |
|---|---|
| Summenformel | C73H108O12 |
| Durchschnittliche Molmasse | 1.177,6 g/mol |
| Monoisotopische Masse | 1.176,7840789 g/mol |
| 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 |
| InChIKey | BGYHLZZASRKEJE-UHFFFAOYSA-N |
| PubChem CID | 64819 |
| ChEMBL | CHEMBL3187856 |
| EC No. | 229-722-6 |
| DTXSID | DTXSID1027633 |
| Lokaler Name | Pentaerythrittetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionat) |
Chemische & physikalische Eigenschaften
| XLogP | 19,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 186 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 12 |
| Frei drehbare Bindungen | 32 |
| Schwere Atome | 85 |
| Formalladung | 0 |
| Komplexität | 1.730 |
| Stoffklassen | Other Classes -> Other Organic Compounds |
| Polymers | Plastics -> Polyolefin-IPURPolyolefin-IIPVC (soft)PVC (rigid)PETPAPC(E)PSPlastics -> Antioxidants |
| Kosmetika | Cosmetic ingredients (Pentaerythrityl Tetra-di-t-butyl Hydroxyhydrocinnamate) -> CIR (Cosmetic Ingredient Review) |
| Duftstoffe | Fragrance Ingredient (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) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | 23 |
| Dichte | 1.15 g/cm³0.9594 (rough estimate) |
| Löslichkeit | Solubility in water: noneChloroform (Slightly), Ethyl Acetate (Slightly) |
| Flammpunkt | 297 °C o.c.566.6 °F (open cup) |
| Animal Drugs | Pharmaceuticals -> UK Veterinary Medicines Directorate List |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 110-125 °C230-257 °F115-118 °C (dec.)(lit.) |
| Dampfdichte | 1.15 |
| Siedepunkt | 779.1°C (rough estimate) |
| Brechungsindex | 1.6390 (estimate) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 11.71±0.40(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Kosmetik-Inhaltsstoffe Funktionen | ANTIOXIDANT |
| InChIKey | BGYHLZZASRKEJE-UHFFFAOYSA-N |
| LogP (Verteilungskoeffizient) | 18.832 (est) |
| CAS Datenbank | 6683-19-8(CAS DataBase Reference) |
| EPA chemische Informationen | Pentaerithritol tetrakis[3,5-di-tert-butyl-4-hydroxyhydrocinnamate] (6683-19-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 91.6% (2698 of 2945) of all reports.Not ClassifiedAggregated GHS information provided per 2945 reports by companies from 12 notifications to the ECHA C&L Inventory.WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: 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 esterBenzenepropanoic 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 is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 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 are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 26-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15308Benzenepropanoic 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: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 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: Human health tier I assessment |
| Brandgefahren | Combustible. Finely dispersed particles form explosive mixtures in air. |
| Gefahrenübersicht | May cause mechanical eye and respiratory tract irritation[ICSC] Not a skin or eye irritant in rabbitsNot a skin sensitizer in guinea pigsNo adverse effects to fertility, reproduction, or development observed in 2-generation oral study of rats (doses up to 10,000ppm in feed) |
Anwendungen & Verwendung
Verwenden
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.