4,4',4''-(1-Methylproanpyl-3-yliden)tris[6-tert-butyl-m-kresol]

4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol)

HCID 92905

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Grundinformationen

CAS: 1843-03-4
Standard-SMILES: Cc1cc(O)c(C(C)(C)C)cc1C(C)CC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C
InChIKey: PRWJPWSKLXYEPD-UHFFFAOYSA-N
Summenformel: C37H52O3
Durchschnittliche Molmasse: 544,8 g/mol
Monoisotopische Masse: 544,39164552

Namen und Bezeichner

Bevorzugter Name: 4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol)
IUPAC: 4-[4,4-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-tert-butyl-5-methylphenol
Lokaler Name: 4,4',4''-(1-Methylproanpyl-3-yliden)tris[6-tert-butyl-m-kresol]
Englischer Name: 1,1,3-TRIS(2-METHYL-4-HYDROXY-5-TERT-BUTYLPHENYL)BUTANE
Summenformel: C37H52O3
Molmasse: 544.81

Namen und Synonyme

4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol)4,4',4''-(1-Methylpropanyl-3-ylidene)tris[6-tert-butyl-m-cresol]Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris(2-(1,1-dimethylethyl)-5-methyl-Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-(1,1-dimethylethyl)-5-methyl-RefChem:5063721843-03-4Topanol CA1,1,3-Tris(2-methyl-4-hydroxy-5-tert-butylphenyl)butaneTri(butylcresyl)butane1,3-Tris(2-methyl-4-hydroxy-5-tert-butylphenyl)butane1,1,3-Tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butaneMFCD00072238

Weitere Namen anzeigen

Antioxidant CAtpncOS 930gsy930henol)markao30topanolcaSeenox 336Mixxim AO 30ACETOSTAB CA

BF6E9O0XJN4-[4,4-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-tert-butyl-5-methylphenol39283-48-2OS-9304,4',4''-(1-Methyl-1-propanyl-3-ylidene)tris[2-(1,1-dimethylethyl)-5-methylphenol]1,1,3-tri(3-tert-butyl-4-hydroxy-6-methylphenyl)butaneTrisalkofen BMB4,4',4''-(Butane-1,1,3-triyl)tris(2-(tert-butyl)-5-methylphenol)

Datenbank-Bezeichner

CAS: 1843-03-4、39283-48-2
PubChem CID: 92905
DTXSID: DTXSID0038883
UNII: BF6E9O0XJN
EC Number: 217-420-7
Nikkaji: J47.628E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 11,5
Polarare Oberfläche (TPSA): 60,7 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 8
Schwere Atome: 40
Formalladung: 0
Komplexität: 758

Experimentelle und physikochemische Eigenschaften

Polymers · 2 Einträge

Plastics -> Antioxidants

Plastics -> Polyolefin-I; Polyolefin-II; PVC (soft); ABS; PVC (rigid); (E)PS

CosmeticsPlasticiser; Film forming; Solvent

Endocrine DisruptorsPotential endocrine disrupting compound

Food Contact Substances · 2 Einträge

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

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

Physical DescriptionLiquid; Dry Powder

Physikochemische Eigenschaften

Schmelzpunkt: 183 · 183-190 °C(lit.)
Siedepunkt: 578.54 °C · 578.54°C (rough estimate)
Dichte: 0.5 g/cm3 · 0.5g/cm3
Dampfdruck: 0 Pa · 0Pa at 25℃
Brechungsindex: 1.58 · 1.5800 (estimate)
Flammpunkt: 225 °F · 225 °F
pka: 10.38 · 10.38±0.20(Predicted)
Wasserlöslichkeit: 0.02 ng/L · 0.02ng/L at 20℃
Kosmetik-Inhaltsstoffe Funktionen: PLASTICISERSOLVENTFILM FORMING
InChIKey: PRWJPWSKLXYEPD-UHFFFAOYSA-N
SMILES: C(C1=C(C)C=C(O)C(C(C)(C)C)=C1)(C)CC(C1=C(C)C=C(O)C(C(C)(C)C)=C1)C1=C(C)C=C(O)C(C(C)(C)C)=C1
LogP: 12.7 at · 12.7 at 25℃
CAS Datenbank: 1843 · 1843-03-4(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1,1,3-Tris(2-methyl-4-hydroxy-5-tert-butylphenyl)butane (1843-03-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 4.4% (10 of 225) of reports.

Warning

H317 (49.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 225 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-(1,1-dimethylethyl)-5-methyl-

Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-(1,1-dimethylethyl)-5-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-(1,1-dimethylethyl)-5-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: 21-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/5913

Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-(1,1-dimethylethyl)-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Sens. 1 (49.3%)

Sicherheitsdaten

wgk: 1
tsca: TSCA listed
RTECS-Nr.: SM1157000
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Skin Sens. 1

Chemie und Industrie

Verwendung und Herstellung

UsesPlastics -> Typical concentration range in plastic materials -> 0.5 - 1.0%

U.S. Production2023: 400,000 - <550,000 lb

Industry UsesIntermediate

Use Classification · 3 Einträge

Plastics -> Antioxidants

Cosmetics -> Plasticiser; Film forming; Solvent

Plastics -> Polymer Type -> Polyolefin-I; Polyolefin-II; PVC (soft); ABS; PVC (rigid); (E)PS

General Manufacturing Information · 2 Einträge

Plastics Product Manufacturing

Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-(1,1-dimethylethyl)-5-methyl-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden1,1,3-Tris(2-Methyl-4-hydroxy-5-tert-butylphenyl)butane is an excellent phenolic antioxidant and can be used as a stabilizer in polypropylene, polyethylene, polyvinyl chloride, ABS, polyoxymethylene and other resins and light-colored rubber products. It works synergistically with the antioxidant DLTP.