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HEXESTROL Structure

HEXESTROL

Chemical Properties

Melting point 186 °C
Boiling point 353.48°C (rough estimate)
Density  1.093
refractive index  1.4800 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  almost transparency in Methanol
pka 9.80±0.26(Predicted)
color  White to Almost white
Merck  14,4701
BRN  3209460
InChI InChI=1/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18+
InChIKey PBBGSZCBWVPOOL-HDICACEKNA-N
SMILES [C@@H](C1=CC=C(O)C=C1)(CC)[C@@H](C1=CC=C(O)C=C1)CC |&1:0,10,r|
CAS DataBase Reference 84-16-2(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 10BI795R7D

Safety

Symbol(GHS)
Signal wordDanger
Hazard statements H350
Precautionary statements P201-P202-P280-P308+P313-P405-P501
Hazard Codes  T
Risk Statements  45
Safety Statements  53-45
WGK Germany  2
RTECS  SL0560850
HS Code  2907.29.9000
Hazardous Substances Data 84-16-2(Hazardous Substances Data)

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