1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazin-2,4,6(1H,3H,5H)-trion

IRGANOX 3114 · TRIS(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL) ISOCYANURATE · TTIC · AO-3114 · Thanox3114 · 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione · 1,3,5-triazine-2,4,6(1h,3h,5h)-trione,1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4 · 1,3,5-tris[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-1,3,5-triazinane-2,4,6-trione

https://huagongshe.com/de/chemical/93115

Molekülstruktur von 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazin-2,4,6(1H,3H,5H)-trion

Identifikatoren & physikalische Daten

CAS No.	27676-62-6
Summenformel	C48H69N3O6
Durchschnittliche Molmasse	784,1 g/mol
Monoisotopische Masse	783,51863693 g/mol
SMILES	CC(C)(C)c1cc(Cn2c(=O)n(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(=O)n(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2=O)cc(C(C)(C)C)c1O
InChIKey	VNQNXQYZMPJLQX-UHFFFAOYSA-N
PubChem CID	93115
EC No.	248-597-9
DTXSID	DTXSID0027935
Lokaler Name	1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazin-2,4,6(1H,3H,5H)-trion

Chemische & physikalische Eigenschaften

XLogP	12,8
Polarare Oberfläche (TPSA)	122
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	12
Schwere Atome	57
Formalladung	0
Komplexität	1.170
Polymers	Plastics -> Polyolefin-IPolyolefin-IIABSPlastics -> AntioxidantsPlastics -> Other functions -> Other stabiliser
Food Contact Substances	FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description	Dry PowderOther SolidCBILarge Crystals
Schmelzpunkt	218-220 °C(lit.)
Siedepunkt	757.9±60.0 °C(Predicted)
Dichte	1.03g/cm3
Dampfdruck	0Pa at 25℃
Flammpunkt	289°C
Lagerbedingungen	Inert atmosphere,Room Temperature
Löslichkeit	Chloroform (Slightly), Ethyl Acetate (Slightly, Heated), Methanol (Slightly, Heated)40μg/L at 20℃
Aggregatzustand	solid
pKa (Säurekonstante)	11.45±0.40(Predicted)
Farbe	White to Off-White
Henry-Konstante	6.1×1020 mol/(m3Pa) at 25℃, Zhang et al. (2010)
Hauptanwendungen	pharmaceutical (small molecule)
InChIKey	VNQNXQYZMPJLQX-UHFFFAOYSA-N
SMILES	N1(CC2=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C2)C(=O)N(CC2=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C2)C(=O)N(CC2=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C2)C1=O
LogP (Verteilungskoeffizient)	15.18
CAS Datenbank	27676-62-6(CAS DataBase Reference)
EPA chemische Informationen	1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]- (27676-62-6)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 100% (282 of 282) of all reports.Not ClassifiedAggregated GHS information provided per 282 reports by companies from 1 notifications to the ECHA C&L Inventory.
Regulatorische Informationen	Chemical: 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]- 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: 17-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/143581,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Not Classified
Wassergefährdungsklasse (WGK)	-
TSCA-Inventar-Status	TSCA listed
Zollcode	2933690000
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

Tris(3,5-di-tert-butyl-4-hydroxybenzyl) Isocyanurate(Antioxidant3114) is used an as antioxidant-stabilizer in polyolefin films intended for packaging nonfatty food as well as an antioxidant in propylene copolymers.