6-Isopropyl-2,3-Dimethylphenol
[CAS 137321-72-3]

Identification

• Name: 6-Isopropyl-2,3-Dimethylphenol
• Synonyms: InChI=1/C11H16O/c1-7(2)10-6-5-8(3)9(4)11(10)12/h5-7,12H,1-4H3; methylthymol
• Molecular Formula: C₁₁H₁₆O
• Molecular Weight: 164.24
• CAS Registry Number: 137321-72-3
• SMILES: CC1=C(C(=C(C=C1)C(C)C)O)C
• InChI: 1S/C11H16O/c1-7(2)10-6-5-8(3)9(4)11(10)12/h5-7,12H,1-4H3
• InChIKey: DTCVWQAPCDRBKX-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 246.5±9.0°C at 760 mmHg (Cal.)
• Flash point: 110.7±8.4°C (Cal.)
• Refractive index: 1.522 (Cal.)

References

• (1): Ramón Martínez-Máñez, Félix Sancenón, Mustafa Biyikal, Mandy Hecht and Knut Rurack. Mimicking tricks from nature with sensory organic–inorganic hybrid materials, J. Mater. Chem., 2011, 21, 12588.