3-tert-Butyltoluene

HCID 33711CAS 1075-38-3

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Grundinformationen

Standard-SMILES: Cc1cccc(C(C)(C)C)c1
InChIKey: JTIAYWZZZOZUTK-UHFFFAOYSA-N
Summenformel: C11H16
Durchschnittliche Molmasse: 148,24 g/mol
Monoisotopische Masse: 148,12520051

Namen und Bezeichner

Bevorzugter Name: 3-tert-Butyltoluene
IUPAC: 1-tert-butyl-3-methylbenzene
Englischer Name: 3-TERT-BUTYLTOLUENE
Summenformel: C11H16
Molmasse: 148.24

Namen und Synonyme

3-tert-ButyltolueneRefChem:505413677-961-31075-38-31-tert-Butyl-3-methylbenzene1-(tert-Butyl)-3-methylbenzeneToluene, m-tert-butyl-MFCD00059210Benzene, 1-(1,1-dimethylethyl)-3-methyl-m-tert-Butyltoluene1-Methyl-3-tert-butylbenzenebutyltoluol

Weitere Namen anzeigen

m-t-butyltoluenetoluene,m-tert-butyl-3-tert-Butyltoluene >1-METHYL-3-t-BUTYLBENZENE

NSC237003-(tert-Butyl)tolueneSCHEMBL348758SCHEMBL349313SCHEMBL887637SCHEMBL9333751-methyl-3-tert-butyl-benzene1-tert-butyl-3-methyl-benzene

Datenbank-Bezeichner

CAS: 1075-38-3
PubChem CID: 33711
DTXSID: DTXSID10148068
EC Number: 677-961-3
Nikkaji: J54.459K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,5
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 118

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 3 Einträge

1072；1067；1068；1072；1067.5；1067

1053.6；1056.1；1051.12；1062.3；1083；1052

1322；1330；1332；1343；1353；1361；1296

Physikochemische Eigenschaften

Schmelzpunkt: -41 °C · -41 °C
Siedepunkt: 189 °C · 189 °C
Dichte: 0.87 · 0.87
Brechungsindex: 1.494 · 1.4940-1.4960
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Henry's Law Constant: 8.2 · 8.2×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
CAS Datenbank: 1075 · 1075-38-3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H226 (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 exposure; Respiratory 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.