Cuminoin
[CAS# 5623-24-5]

Identification

• Name: Cuminoin
• Synonyms: 2-Hydroxy-1,2-Bis(4-Isopropylphenyl)Ethanone; Nsc121817
• Molecular Formula: C₂₀H₂₄O₂
• Molecular Weight: 296.41
• CAS Registry Number: 5623-24-5
• SMILES: C1=CC(=CC=C1C(C)C)C(O)C(=O)C2=CC=C(C=C2)C(C)C
• InChI: 1S/C20H24O2/c1-13(2)15-5-9-17(10-6-15)19(21)20(22)18-11-7-16(8-12-18)14(3)4/h5-14,19,21H,1-4H3
• InChIKey: KYFSSDITIZHVRH-UHFFFAOYSA-N

Properties

• Density: 1.058g/cm³ (Cal.)
• Boiling point: 443.024°C at 760 mmHg (Cal.)
• Flash point: 188.835°C (Cal.)