HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-(1,1-Dimethylethyl)-1,2-benzoldiol
TBC · 4-t-Butylcatechol · 4-tbc · 4-TERT-BUTYLPYROCATECHOL · PTBC · P-TERT-BUTYL CATECHOL · 4-TERT-BUTYL-1,2-BENZENEDIOL · T-BUTYL CATECHOL
Identifikatoren & physikalische Daten
| CAS No. | 98-29-3 |
|---|---|
| Summenformel | C10H14O2 |
| Durchschnittliche Molmasse | 166,22 g/mol |
| Monoisotopische Masse | 166,09937969 g/mol |
| SMILES | CC(C)(C)c1ccc(O)c(O)c1 |
| InChIKey | XESZUVZBAMCAEJ-UHFFFAOYSA-N |
| PubChem CID | 7381 |
| ChEMBL | CHEMBL220845 |
| EC No. | 202-653-9 |
| DTXSID | DTXSID5024687 |
| Lokaler Name | 4-(1,1-Dimethylethyl)-1,2-benzoldiol |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 148 |
| Stoffklassen | Other Classes -> Phenols |
| Dichte | 1.0496 @25 °C |
| Flammpunkt | 130 °C>230 °F |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Siedepunkt | 285 °C @760 [mm Hg]285 °C(lit.) |
| Schmelzpunkt | 52 °C52-55 °C(lit.) |
| Geruchsschwelle | Odor Threshold = 1.0 mg/l (detection) |
| Dampfdruck | 0.0028 [mmHg]0.0028 [mm Hg] @25 °C<1 hPa (25 °C) |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | LiquidDry PowderOther SolidCBIWhite solid[CHEMINFO] White or tan, odorless crystalline solid[MSDSonline] |
| Collision Cross Section | 139.3 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID5024687] |
| Brechungsindex | n20/D 1.508 |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | methanol: soluble1g/10 mL, clear, colorless to slightly yellow0.2 g/100 mL (25 ºC) |
| pKa (Säurekonstante) | 9.92±0.10(Predicted) |
| Aggregatzustand | powder to lump |
| Farbe | White to Light yellow to Light red |
| Geruch | at 10.00%indipropylene glycol. phenolic |
| BRN | 2043335 |
| InChI | 1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3 |
| InChIKey | XESZUVZBAMCAEJ-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1ccc(O)c(O)c1 |
| LogP (Verteilungskoeffizient) | 1.98 at 25℃ |
| CAS Datenbank | 98-29-3(CAS DataBase Reference) |
| NIST chemische Informationen | 1,2-Benzenediol, 4-(1,1-dimethylethyl)-(98-29-3) |
| EPA chemische Informationen | p-tert-Butylcatechol (98-29-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1% (27 of 2665) of reports.DangerH302 (87.7%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2665 reports by companies from 36 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1,2-Benzenediol, 4-(1,1-dimethylethyl)-1,2-Benzenediol, 4-(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Benzenediol, 4-(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: 10-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/138004-t-Butylpyrocatechol: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - tert-butyl catechol: Human health tier II assessment |
| Gefahrenübersicht | Has corrosive effects to skin and eyes[CHEMINFO] Danger of skin sensitization[MAK] No mortality occurred in animals exposed to saturated concentrations (3-4 ppm)Cases of skin depigmentation have been reported in workers[AIHA] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause chemical pneumonitisCan be absorbed through skinMay cause skin sensitization[MSDSonline] |
| Hazard Classes and Categories | Acute Tox. 4 (87.7%)Acute toxicity (ingestion) - category 4Acute toxicity (Dermal) - Category 3 |
| Protective Action Criteria (PAC) | 0.18 [mg/m3]2.0 [mg/m3]160 [mg/m3] |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2923 8/PG 3 |
| Zollcode | 29072900 |
| RTECS-Nr. | UX1400000 |
| R-Sätze (R) | 22-34-43-21-51/53-21/22-39/23/24/25-20/21/22-10-50/53 |
| Toxizität | LD50 orally in Rabbit: 815 mg/kg LD50 dermal Rat 1331 mg/kg |
| Gefahrensymbole | C,N,T |
| Sicherheitshinweise (S) | 26-36/37/39-45-61-24-60 |
| Gefahrenklasse | 8Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1BSkin Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Selbstentzündungstemperatur | 160 °C |
Anwendungen & Verwendung
Beschreibung
Para-tertiary butyl catechol is specially prepared by reacting the impure catechol fraction with tertiary butyl alcohol. Used for its various properties (inhibition of polymerization and as an antioxidizing agent) in the manufacture of rubber, plastics and paints, in the preparation of petrolatum products, and as an antioxidant in oils, it may induce vitiligo.