Bisabolol oxide A Structure

Bisabolol oxide A

Chemical Properties

Boiling point 327.7±42.0℃ (760 Torr)
Density  0.982±0.06 g/cm3 (20 ºC 760 Torr)
Flash point 125.9±22.1℃
storage temp.  -20°C
pka 14.51±0.60(Predicted)
form  Liquid
color  Colorless to light yellow
InChI 1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(2,3)17-15/h5,12-13,16H,6-10H2,1-4H3/t12-,13+,15+/m1/s1
InChIKey WJHRAVIQWFQMKF-IPYPFGDCSA-N
SMILES [H][C@@]1(CCC(C)=CC1)[C@]2(C)CC[C@H](O)C(C)(C)O2
LogP 3.457 (est)
FDA UNII 16AE65F94Y
UNSPSC Code 85151701
NACRES NA.24

Safety

Symbol(GHS) Environment (GHS09)
Hazard statements H411
Precautionary statements P273
Hazard Codes  N
Risk Statements  51/53
Safety Statements  61
RIDADR  UN3077 9/PG 3
WGK Germany  3
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Chronic 2

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