alpha-Ionone

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Catalog Number : CS-T-29553
CAS Number : 127-41-3
Status :
Category : Impurities
Industry : Flavours and Fragrances, Flavors and fragrances
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Canonical SMILES : CC1=CCCC(C1C=CC(=O)C)(C)C
Isomeric SMILES : CC1=CCCC(C1/C=C/C(=O)C)(C)C
InChI : InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+
InchIKey : UZFLPKAIBPNNCA-BQYQJAHWSA-N
IUPAC Name : (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Exact Mass : 192.151415257
Color : Colorless to slightly yellow liquid
Odor : It has a warm, woody, floral odor with balsamic and sweet tones and is strongly reminiscent of violet flowers.
Boiling Point : 258 °C at 760 mm Hg
Solubility : 5.51e-04 M
Density : 0.9319 at 20/4 °C
Use Classification : Food additives -> Flavoring Agents
Industry Uses : Odor agents
Consumer Uses : Air care products
Hazard Class : Skin irritation - category 2
Description : Alpha-ionone is an ionone, an enone and a methyl ketone.
Disposal Methods : SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.
EC Number : 204-841-6
Vapor Pressure : 0.02 mmHg
Toxicity Summary : 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.
Antidoteand Emergency Treatment : /SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/
Human Toxicity Excerpts : /HUMAN EXPOSURE STUDIES/ A 48-hr occluded patch test was conducted on the backs of 50 adult male volunteers. A 0.05 g aliquot of 32% alpha-ionone in acetone was placed on 15 mm patches which were then applied to the back of each subject for 48 hr. The patches were removed and the sites were swabbed with dry gauze to remove residual test material. Reactions were evaluated at 30 min after patch removal and if necessary, at 72, 96 and 120 hr after patch removal. alpha-ionone was found to be a moderate irritant.

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