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(+)-Aromadendrene Structure

(+)-Aromadendrene

Chemical Properties

Melting point 262°C
Boiling point 261-263 °C (lit.)
Density  0.912 g/mL at 20 °C (lit.)
refractive index  n20/D 1.497
Flash point 90℃
storage temp.  2-8°C
solubility  Chloroform (Soluble), Ethyl Acetate (Slightly), Methanol (Slightly)
form  Oil
color  Colourless to Pale Yellow
optical activity [α]20/D +12±1°, neat
BRN  2554306
InChI 1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10-,11+,12-,13-,14-/m1/s1
InChIKey ITYNGVSTWVVPIC-XVIXHAIJSA-N
SMILES [H][C@@]12CC[C@@H](C)[C@@]1([H])[C@@]3([H])[C@@]([H])(CCC2=C)C3(C)C
LogP 6.427 (est)

Safety Information

WGK Germany  3
F  10-23
Storage Class 10 - Combustible liquids

MSDS

Usage And Synthesis

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