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dihydro-beta-ionone

Chemical Structure

General Material Information

Preferred name dihydro-beta-ionone
Trivial Name Dihydro-β-ionone
Short Description 4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butanone
Formula C13 H22 O
CAS Number 17283-81-7
FEMA Number 3626
ECHA Number 241-318-1
FDA UNII 710YK6CESE
Nikkaji Number J45.860K
MDL MFCD00456730
COE Number 11060
xLogP3-AA 2.70 (est)
NMR Predictor External link
JECFA Food Flavoring 394 dihydro-beta-ionone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 17283-81-7 ; DIHYDRO-BETA-IONONE
Synonyms
  • 2-butanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
  • di hydro beta ionone
  • dihydro beta ionone
  • dihydro beta-ionone
  • dihydro ionone beta
  • dihydro-b-ionone
  • 7,8-dihydro-beta-ionone
  • dihydroionon beta
  • beta- dihydroionone
  • 4-(2,6,6-trimethyl-1-cyclohexen-1-yl) butan-2-one
  • 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butanone
  • 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butan-2-one
  • 4-2,6,6-trimethyl-1-cyclohexenyl butan-2-one
  • 4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butanone
  • 4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-one
  • 4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-one
  • woody ionone
  • 4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-one
  • 2-Butanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
  • 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
  • Dihydro-β-ionone
  • β-Ionone, dihydro-
  • 7,8-Dihydro-β-ionone
  • α,β-Dihydro-β-ionone
  • β-7,8-Dihydroionone

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

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Literature & References

4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:17283-81-7
Pubchem (cid):519382
Pubchem (sid):135283727
Pherobase:View
Publications by Perfumer & Flavorist
Organoleptic Characteristics of Flavor Materials
Publications by PubMed
Volatile organic compounds of six French Dryopteris species: natural odorous and bioactive resources.
The floral scent of Taccarum ulei (Araceae): attraction of scarab beetle pollinators to an unusual aliphatic acyloin.
Main odorants in Jura flor-sherry wines. Relative contributions of sotolon, abhexon, and theaspirane-derived compounds.
Glycosidic conjugates of C13 norisoprenoids, monoterpenoids, and cucurbates in Boronia megastigma (Nees).
QM/MM study of dehydro and dihydro β-ionone retinal analogues in squid and bovine rhodopsins: implications for vision in salamander rhodopsin.
Glucose exerts a negative effect over a peroxidase from Trichosporon asahii, with carotenoid cleaving activity.
Bioactive apocarotenoids from Tectona grandis.
Fragrance material review on dihydro-beta-ionone.
Use of SPME-GC-MS in the study of time evolution of the constituents of saffron aroma: modifications of the composition during storage.
Beccaridiol, an unusual 28-nortriterpenoid from the leaves of Diplectria beccariana.
Bioconversion of lutein using a microbial mixture--maximizing the production of tobacco aroma compounds by manipulation of culture medium.
Volatile organic compound (VOC) analysis and sources of limonene, cyclohexanone and straight chain aldehydes in axenic cultures of Calothrix and Plectonema.
Investigation of bound aroma constituents of yellow-fleshed nectarines (Prunus persica L. Cv. Springbright). changes in bound aroma profile during maturation.
Production of tobacco aroma from lutein. Specific role of the microorganisms involved in the process.
Identification of host fruit volatiles from hawthorn (Crataegus spp.) attractive to hawthorn-origin Rhagoletis pomonella flies.
Ionone, iridoid and phenylethanoid glycosides from Ajuga salicifolia.
3,4-Dihydroxy-7,8-dihydro-beta-ionone 3-O-beta-D-glucopyranoside and other glycosidic constituents from apple leaves.
Metabolism and CYP-inducer properties of astaxanthin in man and primary human hepatocytes.
Bioconversion of lutein to products with aroma.
Isolation and identification of a major urinary canthaxanthin metabolite in rats.
Characterization of metabolites of astaxanthin in primary cultures of rat hepatocytes.

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
FDA Substances Added to Food (formerly EAFUS):View
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C03527
HMDB (The Human Metabolome Database):HMDB32913
FooDB:FDB010896
Export Tariff Code:2914.23.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 194.31753540039
Specific gravity @ 25 °C
Pounds per Gallon 7.664 to 7.73
Refractive Index 1.479 to 1.483 @ 20 °C
Boiling Point 261 to 262°C @ 760 mm Hg
Vapor Pressure 0.01 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 3.99 est
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light. store under nitrogen.
Solubility
alcohol Yes
water, 48 mg/L @ 20 °C (exp) Yes
Stability
alcoholic - good Unspecified
antiperspirant spray - moderate Unspecified
APC (pH = 10) - good Unspecified
candles - good Unspecified
damp fabric - good Unspecified
dry fabric - good Unspecified
liquid bleach - poor Unspecified
pH = 2 - good Unspecified
powder detergent - good Unspecified
powder detergent + activator - good Unspecified
soap - good Unspecified
toiletries - good Unspecified

Organoleptic Properties

Odor Type: Woody
earthy, woody, mahogany, orris, dry, amber, cedar, berry, seedy, oily, raspberry, floral, tea, leafy
Odor strength medium
Substantivity 9 hour(s) at 100.00 %
Luebke, William tgsc, (2007) At 100.00 %. earthy woody mahogany orris dry amber
Mosciano, Gerard, (2009) At 1.00 %. woody cedar, berry seedy, oily, raspberry with floral, tea and leafy nuances
Flavor Type: Woody
woody, seedy, berry, raspberry, leafy, spicy
Mosciano, Gerard, (2009) At 5.00 ppm. woody, seedy, berry raspberry, with leafy, spicy nuances

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi N - Irritant, Dangerous for the environment.
R 38 - Irritating to skin.
R 42/43 - May cause sensitization by inhalation and skin contact.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 37/39 - Wear suitable gloves and eye/face protection.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Skin irritation (Category 2), H315
Acute aquatic toxicity (Category 2), H401
Chronic aquatic toxicity (Category 2), H411
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H315 - Causes skin irritation
H401 - Toxic to aquatic life
H411 - Toxic to aquatic life with long lasting effects
Precautionary statement(s)
P264 - Wash skin thouroughly after handling.
P273 - Avoid release to the environment.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P302 + P352 - IF ON SKIN: wash with plenty of soap and water.
P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention.
P362 - Take off contaminated clothing and wash before reuse.
P391 - Collect spillage. Hazardous to the aquatic environment
P501 - Dispose of contents/ container to an approved waste disposal plant.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
Dispose of contents/ container to an approved waste disposal plant.

Dermal Toxicity:
Not determined
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
maximum skin levels for fine fragrances:
1.3400 % 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 dihydro-beta-ionone usage levels up to:
8.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics:
4.2600 %
Dermal Systemic Exposure in Cosmetic Products:
0.11 mg/kg/day (IFRA, 2002)
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 12
Click here to view publication 12
average usual ppmaverage maximum ppm
baked goods: -1.50000
beverages(nonalcoholic): -0.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -10.00000
condiments / relishes: --
confectionery froastings: -1.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -0.70000
gelatins / puddings: -1.00000
granulated sugar: --
gravies: --
hard candy: -2.50000
imitation dairy: -1.00000
instant coffee / tea: --
jams / jellies: -1.00000
meat products: --
milk products: -1.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: -1.20000
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):17283-81-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :519382
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3082
WGK Germany:2
4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-one
Chemidplus:0017283817