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HCID 33711Erstellt: 26. Oktober 2026

3-tert-Butyltoluene

m-t-butyltoluene · 3-TERT-BUTYLTOLUENE · m-tert-Butyltoluene · toluene,m-tert-butyl- · Toluene, m-tert-butyl- · 3-tert-Butyltoluene >1-METHYL-3-t-BUTYLBENZENE · 1-TERT-BUTYL-3-METHYLBENZENE · 1-Methyl-3-tert-butylbenzene

https://huagongshe.com/de/chemical/33711

Molekülstruktur von 3-tert-Butyltoluene

Identifikatoren & physikalische Daten

CAS No.1075-38-3
SummenformelC11H16
Durchschnittliche Molmasse148,24 g/mol
Monoisotopische Masse148,12520051 g/mol
SMILESCc1cccc(C(C)(C)C)c1
InChIKeyJTIAYWZZZOZUTK-UHFFFAOYSA-N
PubChem CID33711
EC No.677-961-3
DTXSIDDTXSID10148068

Chemische & physikalische Eigenschaften

XLogP4,5
Polarare Oberfläche (TPSA)0
H-Brücken-Donoren0
H-Brücken-Akzeptoren0
Frei drehbare Bindungen1
Schwere Atome11
Formalladung0
Komplexität118
Kovats Retention Index1072106710681067.51053.61056.11051.121062.3108310521322133013321343135313611296
Schmelzpunkt-41 °C
Siedepunkt189 °C
Dichte0.87
Brechungsindex1.4940-1.4960
Aggregatzustandclear liquid
FarbeColorless to Almost colorless
Henry-Konstante8.2×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
CAS Datenbank1075-38-3

Sicherheit & Vorschriften

GHS-EinstufungDangerH226 (20%): Flammable liquid and vapor [Warning Flammable liquids]H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (20%): Toxic in contact with skin [Danger Acute toxicity, dermal]H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H411 (80%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P337+P317, P361+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 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.
Hazard Classes and CategoriesFlam. Liq. 3 (20%)Acute Tox. 3 (20%)Acute Tox. 3 (100%)
UN-Transportnummer2667
Zollcode2902.90.3050
Gefahrenklasse6.1
VerpackungsgruppeIII