HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,2',6,6'-Tetra-tert-butyl-4,4'-methylendiphenol
Antioxidant 702 · antioxidante702 · e702 · l3mb1 · E 702 · L 3MB1 · lz-mb1 · bimoxm
Identifikatoren & physikalische Daten
| CAS No. | 118-82-1 |
|---|---|
| Summenformel | C29H44O2 |
| Durchschnittliche Molmasse | 424,7 g/mol |
| Monoisotopische Masse | 424,33413064 g/mol |
| SMILES | CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O |
| InChIKey | MDWVSAYEQPLWMX-UHFFFAOYSA-N |
| PubChem CID | 8372 |
| ChEMBL | CHEMBL1795577 |
| ChEBI | CHEBI:34369 |
| EC No. | 204-279-1 |
| DTXSID | DTXSID7022411 |
| Lokaler Name | 2,2',6,6'-Tetra-tert-butyl-4,4'-methylendiphenol |
Chemische & physikalische Eigenschaften
| XLogP | 9,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 31 |
| Formalladung | 0 |
| Komplexität | 480 |
| Physical Description | Dry PowderWhite or yellow powder[Alfa Aesar MSDS] |
| Collision Cross Section | 221.2 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID7022411] |
| Schmelzpunkt | 155-159 °C(lit.) |
| Siedepunkt | 289 °C40 mm Hg(lit.) |
| Dichte | 0.99 g/cm3 (20℃) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.4875 (estimate) |
| Flammpunkt | 289°C/40mm |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | <0.0001g/l31.9ng/L at 20℃ |
| pKa (Säurekonstante) | 12.03±0.40(Predicted) |
| Aggregatzustand | solid |
| Farbe | White |
| BRN | 1916919 |
| Stabilität | Stable for 2 years from date of purchase as supplied. Solutions are not stable. Solutions must be made fresh and used within 1 working day. |
| InChI | 1S/C29H44O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h14-17,30-31H,13H2,1-12H3 |
| InChIKey | MDWVSAYEQPLWMX-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1cc(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C |
| LogP (Verteilungskoeffizient) | 8.9 at 25℃ |
| CAS Datenbank | 118-82-1(CAS DataBase Reference) |
| NIST chemische Informationen | Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-(118-82-1) |
| EPA chemische Informationen | Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)- (118-82-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 65.9% (571 of 866) of all reports.H413 (18.2%): 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 866 reports by companies from 9 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 571 of 866 reports by companies.There are 8 notifications provided by 295 of 866 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'-methylenebis[2,6-bis(1,1-dimethylethyl)-Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-methylenebis[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: 19-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13429Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and eye irritant in rabbitsNo mortality or gross lesions observed in oral lethal-dose study of rats at 5,000 mg/kgAnother lethal-dose study of rats produced increasing severity of hepatic degeneration in animals that died (doses of 4,700-36,000 mg/kg)No mortality or symptoms of systemic toxicity observed in dermal lethal-dose study of rats at doses up to 36,000 mg/kg[IUCLID] Causes ulceration or bleeding from the large intestine and fibrous hepatitis (cirrhosis, post necrotic scarring) in 2-year constant feeding studies of dogs[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS] See 2,2'-Methylenebis(6-t-butyl-4-ethylphenol). |
| Hazard Classes and Categories | Aquatic Chronic 4 (18.2%) |
| 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. |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29072990 |
| RTECS-Nr. | SL9650000 |
| R-Sätze (R) | 36/37/38-38-37-36 |
| Toxizität | LD50 oral in rat: > 24gm/kg |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Antioxidant.