Compound Summary

General Compound Information

alpha-ionone

Description
Alpha-ionone is an ionone, an enone and a methyl ketone.
Synonyms
ALPHA-IONONE;  127-41-3;  Iraldeine;  (E)-alpha-Ionone;  4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one;
FlavorDB ID
3052
PUBCHEM ID
Molecular Weight
192.3
Molecular Formula
C13H20O
Openeye Can Smiles
CC1=CCCC(C1C=CC(=O)C)(C)C
IUPAC Inchikey
UZFLPKAIBPNNCA-BQYQJAHWSA-N
Compound Classification
  • ClassyFire Ontology
Compound Quality
CATEGORY QUALITY THRESHOLD OCCURENCE REFERENCE
smell violet, flowery water details
smell violet, flowery 3.643e-5 µmol/L water details
Compound Toxicity and Food Additive Safety (OFAS)
Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database
IDENTIFICATION AND USE: Alpha-ionone (AI) is a colorless to slightly yellow liquid. AI is a fragrance ingredient in perfumery, in cosmetics and personal care products, in household cleaners and detergents. Flavoring agent in beverages, baked goods, and candies. Used as an ingredient in dog/cat repellent. It is registered for pesticide use in the USA but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses.
HUMAN EXPOSURE AND TOXICITY: AI (32 % in acetone) was found to be a moderate irritant. No reactions were observed with 1% AI; 5% AI produced one irritant/questionable reaction.
ANIMAL STUDIES: No skin irritation was observed in miniature swine using neat AI. In guinea pigs AI was reported to be moderately irritating in skin test. AI produced severe skin irritation reaction in rabbits. AI was tested in a 90-days oral toxicity study using male and female rats. Body weigh gains and feed intake were reduced slightly in both males and females (10 mg/kg). In rats diet containing mixture of AI (60%) and beta-ionone produced swelling of hepatic parenchymal cells after 17 weeks. No mutagenic activity was observed in Salmonella typhimurium strains TA98 and TA100 when treated with AI at concentrations up to approximately 50 ug/plate with and without metabolic activation. AI at 25 mM concentration caused significant increases in chromosome aberrations in Chinese hamster cells. A micronucleus test in mice was negative.
Source: DrugBank or Hazardous Substances Data Bank (HSDB)
Food Additive Safety (OFAS)
ALPHA-IONONE is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.
EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: alpha-Ionone
Receptors
Receptor information of this compound is not available!
GC-MS Consensus Spectra
GC-MS Consensus Spectra information of this compound is not available!