666-99-9

Name AGARIC ACID
CAS 666-99-9
EINECS(EC#) 211-566-5
Molecular Formula C22H40O7
MDL Number MFCD00002665
Molecular Weight 416.55
MOL File 666-99-9.mol
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Chemical Properties

Melting point  142° (dec)
alpha  D19 -9° (NaOH)
Boiling point  454.85°C (rough estimate)
density  1.0867 (rough estimate)
refractive index  1.5300 (estimate)
storage temp.  -20°C Freezer, Under inert atmosphere
solubility  Aqueous Base (Slightly), DMSO (Slightly)
form  Solid
pka 2.93±0.36(Predicted)
color  Pale Beige
Merck  13,186
InChI 1S/C22H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(25)26)22(29,21(27)28)17-19(23)24/h18,29H,2-17H2,1H3,(H,23,24)(H,25,26)(H,27,28)
InChIKey HZLCGUXUOFWCCN-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCCC(C(O)=O)C(O)(CC(O)=O)C(O)=O || CCCCCCCCCCCCCCCCC(C(O)=O)C(O)(CC(O)=O)C(O)=O

Safety Data

WGK Germany  3
RTECS  RA5365000
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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