479-20-9

Name ATRANORIN
CAS 479-20-9
EINECS(EC#) 207-527-7
Molecular Formula C19H18O8
MDL Number MFCD00016597
Molecular Weight 374.34
MOL File 479-20-9.mol

Chemical Properties

Melting point  156-158°C
storage temp.  Store at -20°C
solubility  Chloroform: soluble,DMSO: soluble
form  A crystalline solid
color  White to off-white
InChI 1S/C19H18O8/c1-8-5-12(21)11(7-20)17(23)15(8)19(25)27-13-6-9(2)14(18(24)26-4)16(22)10(13)3/h5-7,21-23H,1-4H3
InChIKey YLOYKYXNDHOHHT-UHFFFAOYSA-N
SMILES COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O
LogP 6.140 (est)

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Skin Sens. 1
Safety Profile
A poison by skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
Toxicity
skn-gpg 5% CODEDG 11,168,1984

Hazard Information

Spectrum Detail

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