(E)-alpha-methyl ionone (44-50%)
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IUPAC Name :(E)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one (44-50%)
InChI :InChI=1/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+
Std.InChI: InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+
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InChIKey :VPKMGDRERYMTJX-CMDGGOBGBY
Std.InChIKey: VPKMGDRERYMTJX-CMDGGOBGSA-N
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SMILES :CCC(=O)/C=C/C1C(=CCCC1(C)C)C
Molar Refractivity :66.34 ± 0.3 cm3 (est)
Parachor :532.1 ± 6.0 cm3 (est)
Index of Refraction :1.509 ± 0.02 (est)
Surface Tension :32.9 ± 3.0 dyne/cm (est)
Density :0.928 ± 0.06 g/cm3 (est)
Polarizability :26.29 ± 0.5 10-24cm3 (est)