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Durene
DURENE · DUROL · 1,2,4,5-TETRAMETHYLBENZENE (DURENE) · 1,2,4,5-TetramethyL · 1,2,4,5-TERAMETHYLBENZENE · benzene,1,2,4,5-tetramethyl- · Durol[R] · 1.2.4.5-TetraM
Identifikatoren & physikalische Daten
| CAS No. | 95-93-2 |
|---|---|
| Summenformel | C10H14 |
| Durchschnittliche Molmasse | 134,22 g/mol |
| Monoisotopische Masse | 134,10955045 g/mol |
| SMILES | Cc1cc(C)c(C)cc1C |
| InChIKey | SQNZJJAZBFDUTD-UHFFFAOYSA-N |
| PubChem CID | 7269 |
| ChEMBL | CHEMBL1797134 |
| ChEBI | CHEBI:38978 |
| EC No. | 202-465-7 |
| DTXSID | DTXSID1029124 |
| Lokaler Name | 1,2,4,5-Tetramethylbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 80,6 |
| Stoffklassen | Other Classes -> Aromatic Hydrocarbons |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Dichte | 0.8875 at 68 °F (NTP, 1992) - Less dense than waterwill float0.838 @ 81°C0.838 g/mL at 25 °C(lit.) |
| Flammpunkt | 130 °F (NFPA, 2010)74 °C165 °F |
| Siedepunkt | 386.2 °F at 760 mmHg (NTP, 1992)196 °C @760 [mm Hg]196-197 °C |
| Schmelzpunkt | 174.6 °F (NTP, 1992)78 °C |
| Physical Description | 1,2,4,5-tetramethylbenzene appears as colorless crystals with a camphor-like odor. (NTP, 1992)Colorless solid[CAMEO] |
| Dampfdichte | 4.6 (vs air) |
| Dampfdruck | 160 mm Hg ( 140 °C) |
| Brechungsindex | 1.5093 |
| Lagerbedingungen | Flammables area |
| Löslichkeit | 0.00348g/linsoluble |
| Aggregatzustand | crystals |
| Farbe | White to Almost white |
| Wichte | 0.838 |
| Geruch | rancid sweet |
| Spezifische Wärmekapazität | Cp(crystal): 1.6 J/(g·K), at 25℃ |
| Merck | 14,3468 |
| BRN | 1903393 |
| Henry-Konstante | 2.49 at 25 °C (approximate - calculated from water solubility and vapor pressure) |
| InChI | 1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3 |
| InChIKey | SQNZJJAZBFDUTD-UHFFFAOYSA-N |
| SMILES | Cc1cc(C)c(C)cc1C |
| LogP (Verteilungskoeffizient) | 4.000 |
| CAS Datenbank | 95-93-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1,2,4,5-tetramethyl-(95-93-2) |
| EPA chemische Informationen | 1,2,4,5-Tetramethylbenzene (95-93-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 8.1% (24 of 298) of reports.DangerH228 (89.6%): Flammable solid [Danger Flammable solids]P210, P240, P241, P273, P280, P370+P378, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 298 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, 1,2,4,5-tetramethyl-Benzene, 1,2,4,5-tetramethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| DOT-Kennzeichnung | Flammable Solid |
| Brandgefahren | Excerpt from ERG Guide 133 [Flammable Solids]: |
| Gesundheitsgefahren | Excerpt from ERG Guide 133 [Flammable Solids]: |
| Reaktive Gruppe | Hydrocarbons, Aromatic |
| Reactivity Profile | Vigorous reactions, sometimes amounting to explosions, can result from the contact between aromatic hydrocarbons, such as 1,2,4,5-TETRAMETHYLBENZENE, and strong oxidizing agents. They can react exothermically with bases and with diazo compounds. Substitution at the benzene nucleus occurs by halogenation (acid catalyst), nitration, sulfonation, and the Friedel-Crafts reaction. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Flam. Sol. 1 (89.6%) |
| Brandbekämpfung | To extinguish a fire involving this chemical you may use a dry chemical, carbon dioxide, foam or halon extinguishera water spray may also be used. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Isolation and Evacuation | Excerpt from ERG Guide 133 [Flammable Solids]: |
| Protective Action Criteria (PAC) | 21 [mg/m3]230 [mg/m3]1400 [mg/m3] |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1325 4.1/PG 2 |
| Zollcode | 29029080 |
| RTECS-Nr. | DC0500000 |
| R-Sätze (R) | 11-53-50 |
| Toxizität | LD50 orally in Rabbit: 6700 mg/kg |
| Gefahrensymbole | F,N |
| Sicherheitshinweise (S) | 16-61 |
| Gefahrenklasse | 4.1Aquatic Acute 1Aquatic Chronic 1Flam. Sol. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 4.1B - Flammable solid hazardous materials |
Anwendungen & Verwendung
Verwenden
1,2,4,5-Tetramethylbenzene is used in method for reducing odor in room in remodeling work by removing causative substances.