5-Methyl-3-(2-methyl-2-propanyl)-2-(2-propyn-1-yloxy)benzaldehyde
[CAS# 831239-77-1]

Identification

• Name: 5-Methyl-3-(2-methyl-2-propanyl)-2-(2-propyn-1-yloxy)benzaldehyde
• Synonyms: 3-tert-butyl-5-methyl-2-(2-propyn-1-yloxy)benzaldehyde; ZINC02877815
• Molecular Formula: C₁₅H₁₈O₂
• Molecular Weight: 230.30
• CAS Registry Number: 831239-77-1
• SMILES: O=Cc1cc(cc(c1OCC#C)C(C)(C)C)C
• InChI: 1S/C15H18O2/c1-6-7-17-14-12(10-16)8-11(2)9-13(14)15(3,4)5/h1,8-10H,7H2,2-5H3
• InChIKey: LZTMNTOEFKVDDR-UHFFFAOYSA-N

Properties

• Density: 1.024g/cm³ (Cal.)
• Boiling point: 347.046°C at 760 mmHg (Cal.)
• Flash point: 144.645°C (Cal.)
• Refractive index: 1.535 (Cal.)