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6,6'-Di-tert-butyl-4,4'-butylidendi-m-kresol
bbm · 4,4'-Butylidenebis(6-tert-butyl-m-cresol) · swp · BBMC · XFJ63 · -M-CRESOL · sumilitbbm · santowhite
Identifikatoren & physikalische Daten
| CAS No. | 85-60-9 |
|---|---|
| Summenformel | C26H38O2 |
| Durchschnittliche Molmasse | 382,6 g/mol |
| Monoisotopische Masse | 382,28718045 g/mol |
| SMILES | CCCC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C |
| InChIKey | PFANXOISJYKQRP-UHFFFAOYSA-N |
| PubChem CID | 6815 |
| ChEMBL | CHEMBL1337629 |
| EC No. | 201-618-5 |
| DTXSID | DTXSID8029602 |
| Lokaler Name | 6,6'-Di-tert-butyl-4,4'-butylidendi-m-kresol |
Chemische & physikalische Eigenschaften
| XLogP | 8,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 28 |
| Formalladung | 0 |
| Komplexität | 444 |
| Dichte | 1.03 @ 25 °C0.9598 (rough estimate) |
| Color/Form | WHITE POWDER |
| Schmelzpunkt | 209 °C211°C |
| Physical Description | Dry PowderWhite solid[HSDB] White to off-white powder[MSDSonline] |
| Siedepunkt | 469.7°C (rough estimate) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.4875 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | almost transparency in Methanol4μg/L at 20℃ |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 10.44±0.20(Predicted) |
| Farbe | White to Almost white |
| InChIKey | PFANXOISJYKQRP-UHFFFAOYSA-N |
| LogP (Verteilungskoeffizient) | 6.4 at 20℃ |
| CAS Datenbank | 85-60-9(CAS DataBase Reference) |
| EPA chemische Informationen | 4,4'-Butylidenebis[6-tert-butyl-m-cresol] (85-60-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 41.1% (120 of 292) of reports.WarningH315 (15.4%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (15.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (14.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H410 (24.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]H412 (18.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]H413 (14.7%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 292 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 120 of 292 reports by companies.There are 8 notifications provided by 172 of 292 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Phenol, 4,4'-butylidenebis[2-(1,1-dimethylethyl)-5-methyl-Phenol, 4,4'-butylidenebis[2-(1,1-dimethylethyl)-5-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-butylidenebis[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: 05-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13368Phenol, 4,4'-butylidenebis[2-(1,1-dimethylethyl)-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Oral LDLo (rat) = 17,000 mg/kgEffects included somnolence, altered food intake, and gastritis[RTECS] Acute and long term feeding studies of rats: liver effects including hyperemia, increased weight, and hepatocellular necrosis[eChemPortal: HPVIS] May cause irritationMay have effects on the liver and lymph nodes, based on animal studies[MSDSonline] |
| Hazard Classes and Categories | Skin Irrit. 2 (15.4%)Eye Irrit. 2 (15.4%)STOT SE 3 (14.4%)Aquatic Chronic 1 (24.3%)Aquatic Chronic 3 (18.8%)Aquatic Chronic 4 (14.7%) |
| Unerwünschte Wirkungen | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| Non-Human Toxicity Excerpts | ACUTE TOXICITY OF SANTOWHITE POWDER IS LOWER THAN THAT OF... /4-4'-THIO-BIS(6-TERT-BUTYL-M-CRESOL) IN RATS/. APPROX LETHAL DOSE FOR RATS IS 17 G/KG.../BEING ADDED TO FEED/.HEPATIC LIPIDS WERE STUDIED IN MALE RATS GIVEN SANTOWHITE POWDER AT A LEVEL OF 1.135 MMOL% FOR 1 WK. SANTOWHITE POWDER INDUCED FATTY LIVER & INCREASED TRIGLYCERIDE, DIGLYCERIDE & CHOLESTERYL-ESTER CONCN, 7.1-, 5.8-, & 6.1-FOLD, RESPECTIVELY. PLASMA TRIGLYCERIDES, TOTAL CHOLESTEROL, & NONESTERIFIED FATTY ACIDS WERE MARKEDLY DECREASED. THE FATTY LIVER APPEARED TO RESULT MAINLY FROM DEFECTIVE FAT EXCRETION FROM THE LIVER. |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29072990 |
| RTECS-Nr. | GO7050000 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrstoffdaten | 85-60-9(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
4,4'-Butylidenebis(6-tert-butyl-3-methylphenol) is mainly used as a variety of polyolefin and rubber antioxidant.