3,3',3'',5,5',5''-Hexa-tert-butyl-α,α',α''-(mesitylen-2,4,6-triyl)tri-p-kresol

1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene

HCID 74370

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Grundinformationen

CAS: 1709-70-2
Standard-SMILES: Cc1c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIKey: VSAWBBYYMBQKIK-UHFFFAOYSA-N
Summenformel: C54H78O3
Durchschnittliche Molmasse: 775,2 g/mol
Monoisotopische Masse: 774,59509636

Überblick

structure

Namen und Bezeichner

Bevorzugter Name: 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene
IUPAC: 4-[[3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2,6-ditert-butylphenol
Lokaler Name: 3,3',3'',5,5',5''-Hexa-tert-butyl-α,α',α''-(mesitylen-2,4,6-triyl)tri-p-kresol
Englischer Name: Antioxidant 1330
Summenformel: C54H78O3
Molmasse: 775.2

Namen und Synonyme

1709-70-2Ionox 3301,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzeneIrganox-1330Ionox-3302,4,6-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)mesitylene51DM34B894DTXSID6027428Phenol, 4,4',4''-((2,4,6-trimethyl-1,3,5-benzenetriyl)tris(methylene))tris(2,6-bis(1,1-dimethylethyl)-Phenol, 4,4',4''-[(2,4,6-trimethyl-1,3,5-benzenetriyl)tris(methylene)]tris[2,6-bis(1,1-dimethylethyl)-RefChem:412654DTXCID307428

Weitere Namen anzeigen

ao-40AO-1330ethanox330tris-BHT mesityleneahydolAt 1330ionox330

4,4',4''-((2,4,6-trimethyl-1,3,5-benzenetriyl)tris(methylene))tris (2,6-bis(1,1-dimethylethyl))phenolAntioxidant 330Irganox 1330Antioxidant 40Agidol 40Ethanox 330Irganox 330Ethyl 330

Datenbank-Bezeichner

CAS: 1709-70-2
PubChem CID: 74370
DTXSID: DTXSID6027428
UNII: 51DM34B894
EC Number: 216-971-0
Nikkaji: J13.057E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 17,7
Polarare Oberfläche (TPSA): 60,7 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 12
Schwere Atome: 57
Formalladung: 0
Komplexität: 1.030

Experimentelle und physikochemische Eigenschaften

Polymers · 3 Einträge

Plastics -> Other functions -> Other stabiliser

Plastics -> Antioxidants

Plastics -> Polyolefin-I; Polyolefin-II; PA

Endocrine DisruptorsPotential endocrine disrupting compound

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionLarge Crystals; Dry Powder; Other Solid

Physikochemische Eigenschaften

Schmelzpunkt: 248 · 248-250 °C(lit.)
Siedepunkt: 739.54 °C · 739.54°C (rough estimate)
Dichte: 0.8883 · 0.8883 (rough estimate)
Brechungsindex: 1.58 · 1.5800 (estimate)
Flammpunkt: 321 ℃ · 321℃
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Very Slightly, Heated, Sonicated)
pka: 11.91 · 11.91±0.40(Predicted)
Aggregatzustand: Solid
Farbe: White to Off-White
Wasserlöslichkeit: 8.09 μg/L · 8.09μg/L at 20℃
Kosmetik-Inhaltsstoffe Funktionen: ANTIOXIDANT
InChIKey: VSAWBBYYMBQKIK-UHFFFAOYSA-N
SMILES: Cc1c(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c(C)c(Cc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c(C)c1Cc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C
LogP: 17.17 · 17.17
CAS Datenbank: 1709 · 1709-70-2(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene (1709-70-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

This chemical does not meet GHS hazard criteria for 69.9% (344 of 492) of all reports.

H413 (21.3%): 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 492 reports by companies from 10 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Phenol, 4,4',4''-[(2,4,6-trimethyl-1,3,5-benzenetriyl)tris(methylene)]tris[2,6-bis(1,1-dimethylethyl)-

Phenol, 4,4',4''-[(2,4,6-trimethyl-1,3,5-benzenetriyl)tris(methylene)]tris[2,6-bis(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4',4''-[(2,4,6-trimethyl-1,3,5-benzenetriyl)tris(methylene)]tris[2,6-bis(1,1-dimethylethyl)- 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: 08-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/14678

Phenol, 4,4',4''-[(2,4,6-trimethyl-1,3,5-benzenetriyl)tris(methylene)]tris[2,6-bis(1,1-dimethylethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAquatic Chronic 4 (21.3%)