Melting point 165-166 °C
Boiling point 381.66°C (rough estimate)
Density 1.0597 (rough estimate)
Refractive index 1.4800 (estimate)
Flash point -2 ° C
Storage conditions 2-8°C
Solubility Acetonitrile: 1 mg/ml; Ethanol: 1 mg/ml; Methanol: 1 mg/ml
Predicted Acidity coefficient (pKa)15.12±0.60
Morphological neat
optical activity [α]1.15/D 0.5±0.5° in chloroform
Merck5951
BRN2056255
InChIInChI = 1 / C20H28O2 / c1-18-9-6-14 (21) 12-13 (18) the 4-5-15-16 (18), 7-10-19 (2) 17 (15) 7-10-19 (19, 3) 22 / h6, 9,12,15-17, 2 H, 4 to 5, 7-8, 10 1-3-11 h2, h3 / t15 -, 16 + 17 + 18 +, 19 + 20 + / s3
InChIKeyXWALNWXLMVGSFR-HLXURNFRSA-N
SMILES @ [C] 12 (CCC3 = CC (= O) C = C/C @ 3 (C) @ [C] 1 (CC @ [C] 1 (C) @ [C] (O) (C) CC @ @ [C] and [H]) [H]) [H] | & 1-0, 9,11,14,16,21, r |
China
