76779-67-4

Name 1,2:5,6-DI-O-CYCLOHEXYLIDENE-D-MANNITOL
CAS 76779-67-4
Molecular Formula C18H30O6
MDL Number MFCD09863049
Molecular Weight 342.43
MOL File 76779-67-4.mol
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Chemical Properties

Melting point  103-105 °C(lit.)
Boiling point  525.9±40.0 °C(Predicted)
density  1.25±0.1 g/cm3(Predicted)
pka 12.99±0.20(Predicted)
Optical Rotation [α]20/D +5.8°, c = 3 in methylene chloride
BRN  4235336
InChI 1S/C18H30O6/c19-15(13-11-21-17(23-13)7-3-1-4-8-17)16(20)14-12-22-18(24-14)9-5-2-6-10-18/h13-16,19-20H,1-12H2/t13-,14-,15-,16-/m1/s1
InChIKey DFWHMBZZFDLOTN-KLHDSHLOSA-N
SMILES O[C@@H]([C@H](O)[C@H]1COC2(CCCCC2)O1)[C@H]3COC4(CCCCC4)O3

Safety Data

WGK Germany  3
Storage Class 11 - Combustible Solids

Spectrum Detail

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