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1-(1,1-Dimethylethyl)-3-Methyl-Benzene
[CAS# 1075-38-3]

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Identification
Name 1-(1,1-Dimethylethyl)-3-Methyl-Benzene
Synonyms 1-Tert-Butyl-3-Methyl-Benzene; 1-Methyl-3-Tert-Butylbenzene; 3-Tert-Butyltoluene
Molecular Structure CAS#: 1075-38-3, 1-(1,1-Dimethylethyl)-3-Methyl-Benzene
Molecular Formula C11H16
Molecular Weight 148.25
CAS Registry Number 1075-38-3
SMILES C1=C(C=C(C=C1)C(C)(C)C)C
InChI 1S/C11H16/c1-9-6-5-7-10(8-9)11(2,3)4/h5-8H,1-4H3
InChIKey JTIAYWZZZOZUTK-UHFFFAOYSA-N
Properties
Density 0.9±0.1g/cm3 (Cal.)
0.87 (Expl.)
Melting point -41°C (Expl.)
Boiling point 189°C (Expl.)
188.8±10.0°C at 760 mmHg (Cal.)
Flash point 60.5±7.1°C (Cal.)
Safety Data
Safety Code S26;S36;S61  Details
Risk Code R20/22;R36/37;R51/53  Details
Hazard Symbol symbol  symbol  X;N  Details
Transport Information UN2667
Safety Description DANGER: POISON, irritates skin, eyes, lungs
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