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3-tert-Butyl-4-methoxyphenol
TBMP · 2-BHA · 4-Methoxy-3 · Phenol, 3-(1,1-dimethylethyl)-4-methoxy- · 3-tert-Bha · -4-methoxy- · 4-Methoxy-3-te · TBMP (Standard)
Identifikatoren & physikalische Daten
| CAS No. | 88-32-4 |
|---|---|
| Summenformel | C11H16O2 |
| Durchschnittliche Molmasse | 180,24 g/mol |
| Monoisotopische Masse | 180,11502975 g/mol |
| SMILES | COc1ccc(O)cc1C(C)(C)C |
| InChIKey | IMOYOUMVYICGCA-UHFFFAOYSA-N |
| PubChem CID | 6932 |
| ChEBI | CHEBI:76357 |
| EC No. | 201-820-3 |
| DTXSID | DTXSID7058963 |
| Lokaler Name | 3-tert-Butyl-4-methoxyphenol |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 160 |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Schmelzpunkt | 64℃ |
| Siedepunkt | 253.08°C (rough estimate) |
| Dichte | 0.9976 (rough estimate) |
| Brechungsindex | 1.4708 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 10.58±0.18(Predicted) |
| Farbe | Off-White to Pale Beige |
| Hauptanwendungen | pharmaceutical small molecule |
| InChI | 1S/C11H16O2/c1-11(2,3)9-7-8(12)5-6-10(9)13-4/h5-7,12H,1-4H3 |
| InChIKey | IMOYOUMVYICGCA-UHFFFAOYSA-N |
| SMILES | O(C)c1c(cc(cc1)O)C(C)(C)C |
| EPA chemische Informationen | Phenol, 3-(1,1-dimethylethyl)-4-methoxy- (88-32-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.8% (1 of 57) of reports.WarningH302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 57 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Phenol, 3-(1,1-dimethylethyl)-4-methoxy-Phenol, 3-(1,1-dimethylethyl)-4-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Weitere Sicherheitsinformationen | Evaluation - Butylated hydroxyanisole and related antioxidants |
| Hazard Classes and Categories | Acute Tox. 4 (98.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2909500000 |
| R-Sätze (R) | 22-36 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Chronic 2 |
Anwendungen & Verwendung
Verwenden
2-tert-Butyl-4-hydroxyanisole shows insecticidal activity.