dehydrodihydroionone
3,4-dehydrodihydro-beta-ionone
 
Notes:
Flavouring ingredient. Present in cooked raspberries
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CAS Number: 20483-36-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 243-847-3
FDA UNII: XZS4VD987O
Nikkaji Web: J280.604E
CoE Number: 11057
XlogP3-AA: 2.40 (est)
Molecular Weight: 192.30160000
Formula: C13 H20 O
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: At least 70%; secondary component 25-27% tetrahydroionone. (JECFA)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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JECFA Food Flavoring: 396  dehydrodihydroionone
DG SANTE Food Flavourings: 07.115  3,4-dehydrodihydro-beta-ionone
FEMA Number: 3447 dehydrodihydroionone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):20483-36-7 ; DEHYDRODIHYDROIONONE
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 70.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.92600 to 0.93600 @  25.00 °C.
Pounds per Gallon - (est).: 7.705 to  7.788
Refractive Index: 1.49500 to 1.50500 @  20.00 °C.
Boiling Point: 126.00 to  128.00 °C. @ 12.00 mm Hg
Boiling Point: 98.00 °C. @ 2.60 mm Hg
Vapor Pressure: 0.008000 mmHg @ 25.00 °C. (est)
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 3.681 (est)
Soluble in:
 alcohol
 water, 14.09 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Description:
floral
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Axsyn
For experimental / research use only.
2-Butanone,4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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Safety Information:
 
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
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Safety in Use Information:
Category: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for dehydrodihydroionone usage levels up to:
  1.0000 % in the fragrance concentrate.
 
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: 9
Click here to view publication 9
 average usual ppmaverage maximum ppm
baked goods: -4.00000
beverages(nonalcoholic): -0.20000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -10.00000
condiments / relishes: --
confectionery froastings: -4.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.40000
fruit ices: -0.40000
gelatins / puddings: -0.60000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: -1.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of alicyclic substances used as flavor ingredients. View pdf
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 20483-36-7
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 577126
National Institute of Allergy and Infectious Diseases: Data
 4-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)butan-2-one
Chemidplus: 0020483367
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References:
 4-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)butan-2-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 20483-36-7
Pubchem (cid): 577126
Pubchem (sid): 135315436
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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
CHEBI: View
HMDB (The Human Metabolome Database): HMDB37139
FooDB: FDB016134
Export Tariff Code: 2914.23.0000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 mimosa
Search  PMC Picture
 raspberry cooked raspberry
Search Trop  Picture
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Synonyms:
 butan-2-one, 4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)-
2-butanone, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
3,4-dehydrodihydro-beta-ionone
 dehydrodihydroionone
 dihydrodehydro-b-ionone
4-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)butan-2-one
4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl) butan-2-one
4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-butanone
4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)butan-2-one
 trimethyl-1,3-cyclohexadienyl butan-2-one
4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-2-one
4-(2,6,6-trimethylcyclohexa-1,3-dienyl)butan-2-one
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