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LIGNYL ACETATE Structure

LIGNYL ACETATE

Chemical Properties

Boiling point 253 °C(lit.)
Density  0.98 g/mL at 25 °C(lit.)
refractive index  n20/D 1.472(lit.)
Flash point >230 °F
color  A colourless liquid with a sweet wood like odour of moderate tenacity
Odor at 100.00 %. herbal linalyl acetate woody pine lavender
Odor Type herbal
InChI InChI=1/C13H20O2/c1-9(14)15-7-6-10-4-5-11-8-12(10)13(11,2)3/h4,11-12H,5-8H2,1-3H3/t11-,12-/s3
InChIKey AWNOGHRWORTNEI-KBLMMMSONA-N
SMILES [C@@]12([H])C[C@@]([H])(CC=C1CCOC(=O)C)C2(C)C |&1:0,3,r|
LogP 3.889 (est)
EPA Substance Registry System Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate (128-51-8)

Safety Information

WGK Germany  3
Toxicity The acute oral LD50 value in rats was reported as 3 ml/kg (2.4-3.6 ml/ kg) (Moreno, 1972a). The acute dermal LD50 value in rabbits was reported as > 2 g/kg (Moreno, 1972b).

Usage And Synthesis

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