1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazin-2,4,6(1H,3H,5H)-trion
Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate
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Grundinformationen
- CAS
27676-62-6- Standard-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- Summenformel
- C48H69N3O6
- Durchschnittliche Molmasse
- 784,1 g/mol
- Monoisotopische Masse
- 783,51863693
Namen und Bezeichner
- Bevorzugter Name
- Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate
- IUPAC
- 1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
- Lokaler Name
- 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazin-2,4,6(1H,3H,5H)-trion
- Englischer Name
- Antioxidant3114
- Summenformel
- C48H69N3O6
- Molmasse
- 784.08
Namen und Synonyme
27676-62-6Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanuratePlastic additive 6EINECS 248-597-9680V3MP8YT1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione1,3,5-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]-EC 248-597-9PLASTIC ADDITIVE 6 [USP-RS]1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-s-triazine-2,4,6(1h,3h,5h)-triones-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-
Weitere Namen anzeigen
IRGANOX 3114TTICAO-3114Thanox31141,3,5-triazine-2,4,6(1h,3h,5h)-trione,1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-41,3,5-tris[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-1,3,5-triazinane-2,4,6-trione-hAN 3114
1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate1,3,5-TRI(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL) ISOCYANURATE1,3,5-TRIS(4-HYDROXY-3,5-DI-TERT-BUTYLBENZYL)CYANURIC ACIDPLASTIC ADDITIVE 6 (USP-RS)1,3,5-TRIS(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL)-S-TRIAZINETRIONE1,3,5-TRIS(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL)(1,3,5)TRIAZIN-2,4,6-TRIONERefChem:9002191,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione
Datenbank-Bezeichner
- CAS
27676-62-6- PubChem CID
- 93115
- DTXSID
DTXSID0027935- UNII
- 680V3MP8YT
- EC Number
- 248-597-9
- Nikkaji
- J52.299F
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 12,8
- Polarare Oberfläche (TPSA)
- 122 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 12
- Schwere Atome
- 57
- Formalladung
- 0
- Komplexität
- 1.170
Experimentelle und physikochemische Eigenschaften
Polymers
Plastics -> Polyolefin-I; Polyolefin-II; ABS
Plastics -> Antioxidants
Plastics -> Other functions -> Other stabiliser
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionDry Powder; Other Solid; CBI; Dry Powder; Large Crystals
Physikochemische Eigenschaften
- Schmelzpunkt
- 218 · 218-220 °C(lit.)
- Siedepunkt
- 757.9 · 757.9±60.0 °C(Predicted)
- Dichte
- 1.03 g/cm3 · 1.03g/cm3
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- Flammpunkt
- 289 °C · 289°C
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Ethyl Acetate (Slightly, Heated), Methanol (Slightly, Heated)
- Aggregatzustand
- solid
- pka
- 11.45 · 11.45±0.40(Predicted)
- Farbe
- White to Off-White
- Wasserlöslichkeit
- 40 μg/L · 40μg/L at 20℃
- Henry's Law Constant
- 6.1 · 6.1×1020 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- Major Application
- 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
- 15.18 · 15.18
- CAS Datenbank
- 27676 · 27676-62-6(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 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 und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (282 of 282) of all reports.
Not Classified
Aggregated GHS information provided per 282 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
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/14358
1,3,5-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 CategoriesNot Classified
Sicherheitsdaten
- wgk
- -
- tsca
- TSCA listed
- hs_code
- 2933690000
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
UsesPlastics -> Typical concentration range in plastic materials -> 0.4 - 0.8%
U.S. Production2023: 2,500,000 - <4,000,000 lb
Consumer UsesOther
Industry UsesNot Known or Reasonably Ascertainable
Use Classification
Plastics -> Antioxidants
Plastics -> Other functions -> Other stabiliser
Plastics -> Polymer Type -> Polyolefin-I; Polyolefin-II; ABS
General Manufacturing Information
Adhesive Manufacturing
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-: ACTIVE
Anwendungen
VerwendenTris(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.
Vor- und nachgelagerte Produkte
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