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Details

Stereochemistry ACHIRAL
Molecular Formula C13H20O
Molecular Weight 192.2973
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-IONONE

SMILES

CC(=O)\C=C\C1=C(C)CCCC1(C)C

InChI

InChIKey=PSQYTAPXSHCGMF-BQYQJAHWSA-N
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+

HIDE SMILES / InChI

Description

β-ionone shown to be a key intermediate in the synthesis of vitamin A. Can be isolated from the volatile oil of Boronia megastigma Nees, Rutaceae or by condensing citral with acetone. From animal experiments it can be concluded that β¬-ionone is absorbed after oral exposure. Metabolism takes place mainly in the liver. ¬ β-Ionone has only low acute toxicity after oral ingestion. The substance naturally occurs as a biogenic volatile organic compound and shows a ubiquitous occurrence in the air due to emissions from plants or surface waters.

Approval Year