80225-53-2

Name Rosmanol
CAS 80225-53-2
Molecular Formula C20H26O5
MDL Number MFCD12031636
Molecular Weight 346.42
MOL File 80225-53-2.mol

Chemical Properties

Melting point  212-213 °C(Solv: ethyl ether (60-29-7))
Boiling point  574.2±50.0 °C(Predicted)
density  1.33
storage temp.  Sealed in dry,2-8°C
solubility  DMSO: soluble
form  A solid
pka 9.07±0.60(Predicted)
color  White to off-white
Major Application food and beverages
InChI InChI=1S/C20H26O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,14,16-17,21-23H,5-7H2,1-4H3/t14-,16+,17-,20-/m0/s1
InChIKey LCAZOMIGFDQMNC-FORWCCJISA-N
SMILES C1(C)(C)[C@@]2([H])[C@]3(C(=O)O[C@]2([H])[C@@H](O)C2=C3C(O)=C(O)C(C(C)C)=C2)CCC1

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

Supplier