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ionone mixed isomers

Chemical Structure

General Material Information

Preferred name ionone mixed isomers
Trivial Name Ionone
Short Description cyclocitrylidenacetone, alpha and beta isomers
Formula C13 H20 O
CAS Number 8013-90-9
ECHA Number 232-396-8
FDA UNII QP734LIN1K
xLogP3-AA 2.90 (est)
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • cyclocitrylidenacetone, alpha and beta isomers
  • fermenta berry
  • alpha,beta- ionone
  • ionone (mixed isomers)
  • ionone alpha-beta
  • alpha,beta- ionone mix natural
  • ionone mixed
  • ionone natural
  • ionone, alpha and beta natural
  • ionones mixed 7.7 natural
  • ionones natural
  • irisone bis
  • irisone coeur
  • (1)-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
  • 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
  • 4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
  • violette AI II
  • violettone A
  • 4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
  • Ionone
  • Irisone

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2914.23.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 192.30160522461
Specific gravity @ 25 °C
Pounds per Gallon 7.73 to 7.797
Refractive Index 1.501 to 1.506 @ 20 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 4.1
Solubility
alcohol Yes
water, 25.16 mg/L @ 25 °C (est) Yes
water No
Stability
bath foam Unspecified
cream Unspecified
hair spray Unspecified
lipstick Unspecified
lotion Unspecified
non-discoloring in most media Unspecified
powder Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Floral
violet, sweet, floral, woody
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 112 hour(s) at 100.00 %
General comment At 10.00 % in dipropylene glycol. violet sweet floral woody
Ionone has a warm and woody character, with the suggestion of balsam and violet flowers. Violet sweet floral woody
Irisone Pure is widely used in perfumes designed for functional products. Its powerful, rich, floral-violet character is easy to blend with many floral, woody, aldehydic, fruity and chypre accords. Sweeter than Irisone Alpha, this grade of ionone has an excellent price/performance ratio. good substantivity. Floral, Orris, Violet, Fruity, Woody

Potential Uses

Applications
Odor purposes Abronia , Acacia , Boronia , Clover , Gardenia , Honeysuckle , Linden flower , Mimosa , Raspberry , Rose , Violet , Woody
Cosmetic purposes Fragrance , Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 38 - Irritating to skin.
S 24 - Avoid contact with skin.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 4590 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Dermal Toxicity:
subcutaneous-mouse LD50 2605 mg/kg
BEHAVIORAL: ANTICONVULSANT BEHAVIORAL: SLEEP
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 46, Pg. 77, 1957.

Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
IFRA Critical Effect:
Sensitization
IFRA Other Specification:
maximum skin levels for fine fragrances:
1.5700 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey).(IFRA, 2002)
Recommendation for ionone mixed isomers usage levels up to:
10.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics:
3.0000 %
Dermal Systemic Exposure in Cosmetic Products:
0.08 mg/kg/day (IFRA, 2002)

Safety references

EPI System: View
Daily Med:search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):8013-90-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :26955
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Chemidplus:0008013909