75513-81-4

Name cedrin
CAS 75513-81-4
Molecular Formula C16H14O8
Molecular Weight 334.28
MOL File 75513-81-4.mol
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Chemical Properties

Melting point  266°C
Boiling point  356.07°C (rough estimate)
density  1.1975 (rough estimate)
refractive index  1.4359 (estimate)
storage temp.  -20°C
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  Powder
biological source plant
Water Solubility  water: slightly soluble
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChI 1S/C16H14O8/c1-5-7(17)4-10-11(12(5)20)14(22)15(23)16(24-10)6-2-8(18)13(21)9(19)3-6/h2-4,15-21,23H,1H3/t15-,16+/m0/s1
InChIKey NZRLODDQFPZTPM-JKSUJKDBSA-N
SMILES O1[C@@H]([C@H](C(=O)c3c1cc(c(c3O)C)O)O)c2cc(c(c(c2)O)O)O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
Signal word  Warning
Hazard statements  H315-H319-H341
Precautionary statements  P501-P202-P201-P264-P280-P302+P352-P308+P313-P337+P313-P305+P351+P338-P362+P364-P332+P313-P405
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

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