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dihydro-alpha-ionone

Chemical Structure

General Material Information

Preferred name dihydro-alpha-ionone
Trivial Name Dihydro-α-ionone
Short Description 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-butanone
Formula C13 H22 O
CAS Number 31499-72-6
Deleted CAS Number 49749-39-5
FEMA Number 3628
Flavis Number 7.132
ECHA Number 250-657-4
FDA UNII 20P9Z50AR5
Nikkaji Number J55.488J
Beilstein Number 2088879
MDL MFCD00036599
COE Number 11059
xLogP3-AA 2.80 (est)
NMR Predictor External link
JECFA Food Flavoring 393 dihydro-alpha-ionone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 31499-72-6 ; DIHYDRO-ALPHA-IONONE
Synonyms
  • 2-butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
  • dihydro alpha ionone
  • dihydro alpha-ionone
  • dihydro-a-ionone
  • 3,4-dihydro-a-ionone
  • 7,8-dihydro-a-ionone
  • 3,4-dihydro-alpha-ionone
  • 7,8-dihydro-alpha-ionone
  • alpha- dihydroionone
  • raspberry ionone
  • 4-(2,6,6-trimethyl-1-cyclohex-2-enyl)butan-2-one
  • 4-2,6,6-trimethyl-2-cyclohexen-1-yl butan-2-one
  • 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-butanone
  • 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one
  • 4-(2,2,6-trimethyl-5-cyclohexen-1-yl)-2-butanone
  • 4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one
  • 4-(2,6,6-trimethyl-1-cyclohex-2-enyl)butan-2-one
  • 2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
  • 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butanone
  • Dihydro-α-ionone
  • 3,4-Dihydro-α-ionone
  • α-7,8-Dihydroionone

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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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB38026
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 7.639 to 7.68
Refractive Index 1.473 to 1.48 @ 20 °C
Vapor Pressure 0.023 mmHg @ 25 °C
Flash Point TCC Value 108.89 °C TCC
logP (o/w) 4.064 est
Solubility
alcohol Yes
water, 11.64 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
woody, floral, berry, orris, powdery, violet, raspberry, fruity
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity > 29 hour(s) at 100.00 %
Luebke, William tgsc, (2021) At 10.00 % in dipropylene glycol. woody floral berry orris powdery violet raspberry fruity
Mosciano, Gerard P&F 17, No. 6, 41, (1992) At 10.00 % in ethyl alcohol. Woody, floral, berry, fruity with orris powdery undernotes
Flavor Type: Berry
creamy, berry, floral, woody, orris, earthy, violet, powdery, tropical, seedy, fruity
Luebke, William tgsc, (2021) Creamy berry floral woody orris earthy violet powdery tropical
Mosciano, Gerard P&F 17, No. 6, 41, (1992) At 2.00 ppm. Berry, floral, woody, seedy with fruity undernotes
Berry type flavors, especially blackberry and raspberry. Typical ionone, floral, berry
General comment Berry, floral, woody, seedy with fruity undertones.

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 38 - Irritating to skin.
R 42/43 - May cause sensitization by inhalation and skin contact.
S 02 - Keep out of the reach of children.
S 37/39 - Wear suitable gloves and eye/face protection.
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:
Not determined
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:
0.0200 % 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-alpha-ionone usage levels up to:
5.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics:
0.0200 %
Dermal Systemic Exposure in Cosmetic Products:
0.0005 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): -0.50000
breakfast cereal: -1.00000
cheese: --
chewing gum: -2.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: -0.50000
granulated sugar: --
gravies: --
hard candy: -1.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: -0.30000
meat products: --
milk products: -0.50000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: -0.05000
snack foods: --
soft candy: -1.00000
soups: --
sugar substitutes: --
sweet sauces: -0.30000

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):31499-72-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :35821
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
4-(2,6,6-trimethyl-1-cyclohex-2-enyl)butan-2-one
Chemidplus:0031499726
RTECS:EM0535000 for cas# 31499-72-6