HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-tert-Butyl-m-cresol
Identifikatoren & physikalische Daten
| CAS No. | 88-60-8 |
|---|---|
| Summenformel | C11H16O |
| Durchschnittliche Molmasse | 164,24 g/mol |
| Monoisotopische Masse | 164,12011513 g/mol |
| SMILES | Cc1ccc(C(C)(C)C)c(O)c1 |
| InChIKey | XOUQAVYLRNOXDO-UHFFFAOYSA-N |
| PubChem CID | 6937 |
| ChEMBL | CHEMBL1880057 |
| EC No. | 201-842-3 |
| DTXSID | DTXSID2026529 |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 146 |
| Dichte | 0.922 AT 80 °C/4 °C |
| Löslichkeit | INSOL IN WATERSOL IN ALCOHOL, ETHER, ACETONE, ORGANIC SOLVENTS |
| Flammpunkt | 114 °C |
| Siedepunkt | 224 °C AT 760 MM HG |
| Schmelzpunkt | 46 °C |
| Dampfdruck | 0.02 [mmHg] |
| Brechungsindex | INDEX OF REFRACTION: 1.5250 AT 20 °CSADTLER REFERENCE NUMBER: 257 (IR, PRISM), 89 (IR, GRATING), 103 (UV), 525 (NMR) |
| Physical Description | Colorless to pale yellow liquidColor may darken on exposure to light, air, or heat[CHEMINFO] |
| Kovats Retention Index | 1340.41365.41366.41368.5226022282229 |
| Collision Cross Section | 138.7 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID2026529] |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (76.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (23.8%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (42.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (23.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (23.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H411 (21.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 164 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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, 2-(1,1-dimethylethyl)-5-methyl-Phenol, 2-(1,1-dimethylethyl)-5-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 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: 26-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/13836Phenol, 2-(1,1-dimethylethyl)-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A corrosive substance that can cause injury to the skin and eyes (based on animal studies)[CHEMINFO] An irritantHarmful if swallowed[Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Corr. 1B (76.2%)Skin Irrit. 2 (23.8%)Eye Dam. 1 (42.1%)Eye Irrit. 2 (23.8%)STOT SE 3 (23.8%)Aquatic Chronic 2 (21.3%)Hazardous to the aquatic environment (Acute) - Category 2Hazardous to the aquatic environment (Long-term) - Category 2Acute toxicity (Oral) - Category 4Acute toxicity (Dermal) - Category 4Skin corrosion/irritation - Category 1Serious eye damage/eye irritation - Category 1Reproductive toxicity - Category 2Specific target organ toxicity - Single exposure - Category 2 (kidney, central nervous system)Specific target organ toxicity - Repeated exposure - Category 2 (liver) |
| 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.Dermatotoxin - Skin burns. |
| Non-Human Toxicity Excerpts | 2-TERT-BUTYL-5-METHYLPHENOL LACKED HEXOBARBITONE OXIDASE & AMINOPYRINE DEMETHYLASE INDUCING ACTIVITY IN LIVERS OF RATS WHEN GIVEN AT 1.5 MILLIMOLES/KG ORALLY FOR 6 DAYS. |