Grundinformationen
- Standard-SMILES
Cc1cc(C(C)(C)C)c(O)c(C)c1Cn1c(=O)n(Cc2c(C)cc(C(C)(C)C)c(O)c2C)c(=O)n(Cc2c(C)cc(C(C)(C)C)c(O)c2C)c1=O- InChIKey
XYXJKPCGSGVSBO-UHFFFAOYSA-N- Summenformel
- C42H57N3O6
- Durchschnittliche Molmasse
- 699,9 g/mol
- Monoisotopische Masse
- 699,42473654
Namen und Bezeichner
- Bevorzugter Name
- 1,3,5-Tri(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
- IUPAC
- 1,3,5-tris[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
- Lokaler Name
- 1,3,5-Tris[[4-tert-butyl-3-hydroxy-2,6-xylyl]methyl]-1,3,5-triazin-2,4,6(1H,3H,5H)-trion
- Englischer Name
- Antioxidant 1790
- Summenformel
- C42H57N3O6
- Molmasse
- 699.92
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
40601-76-1- PubChem CID
- 93221
- DTXSID
DTXSID8028008- ChEMBL
CHEMBL3184256- UNII
- 253H13NWCQ
- EC Number
- 254-996-9
- Nikkaji
- J38.951J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 10
- Polarare Oberfläche (TPSA)
- 122 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 51
- Formalladung
- 0
- Komplexität
- 1.090
Experimentelle und physikochemische Eigenschaften
Polymers
Plastics -> PUR
Plastics -> Antioxidants
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physikochemische Eigenschaften
- Schmelzpunkt
- 163 · 163-165 °C(lit.)
- Siedepunkt
- 793.8 · 793.8±60.0 °C(Predicted)
- Dichte
- 1.172 · 1.172±0.06 g/cm3(Predicted)
- Dampfdruck
- 0 Pa · 0Pa at 20℃
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly)
- pka
- 11.36 · 11.36±0.28(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Wasserlöslichkeit
- 20 μg/L · 20μg/L at 20℃
- Kosmetik-Inhaltsstoffe Funktionen
- ANTIOXIDANT
- InChIKey
- XYXJKPCGSGVSBO-UHFFFAOYSA-N
- SMILES
- N1(CC2=C(C)C=C(C(C)(C)C)C(O)=C2C)C(=O)N(CC2=C(C)C=C(C(C)(C)C)C(O)=C2C)C(=O)N(CC2=C(C)C=C(C(C)(C)C)C(O)=C2C)C1=O
- LogP
- 15.281 at · 15.281 at 20℃
- CAS Datenbank
- 40601 · 40601-76-1(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]- (40601-76-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 22.4% (108 of 482) of reports.
H413 (69.3%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 482 reports by companies from 5 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[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]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[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]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: 10-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13735
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenylmethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29336990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Plastics -> Antioxidants
Plastics -> Polymer Type -> PUR
General Manufacturing Information
Plastics Material and Resin Manufacturing
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-: ACTIVE
Anwendungen
BeschreibungAntioxidant 1790, the appearance is white to off-white powder , Purity ≥95% . Antioxidant 1790 is a kind of hindered phenol primary antioxidant, It can be used in polypropylene, polyamide, ABS resin,polystyrene,elastic fiber, PE PP food package as USA FDA regulation .
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