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CBDB Structure

CBDB

Chemical Properties

Boiling point 451.7±45.0 °C(Predicted)
Density  1.035±0.06 g/cm3(Predicted)
pka 9.61±0.45(Predicted)
InChI InChI=1/C20H28O2/c1-5-6-7-15-11-18(21)20(19(22)12-15)17-10-14(4)8-9-16(17)13(2)3/h10-12,16-17,21-22H,2,5-9H2,1,3-4H3/t16-,17+/s3
InChIKey WBRXESQKGXYDOL-XGTFWIOGNA-N
SMILES C([C@@H]1CCC(C)=C[C@H]1C1C(=CC(CCCC)=CC=1O)O)(=C)C |&1:1,7,r|
FDA UNII SSJ25E98QV

Safety

Symbol(GHS)
Signal wordDanger
Hazard statements H225-H301+H311+H331-H370
Precautionary statements P210-P240-P241-P242-P243-P260-P264-P270-P271-P280-P301+P310-P321-P330-P303+P361+P353-P304+P340-P307+P311-P312-P361+P364-P370+P378-P403+P233-P403+P235-P405-P501
NFPA 704:
3
0 0

Preparation Products And Raw materials

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