alpha-ionone
Notes :
Leaf effects with mhc. new car accord: 0.01 - dimethyl benzyl carbinyl acetate 0.01 - alpha-ionone 0.05 - heptyl cyclopentanone 0.01 - musk gx 0.05 - aldehyde C-14 0.01 - dihydroisojasmonate
  • Home
  • Organoleptics
      • Organoleptic Properties
        Odor Type :floral
        Odor Strength :medium ,
        recommend smelling in a 10.00 % solution or less
        Odor Description:
        at 10.00 % in dipropylene glycol. 
        sweet woody floral violet orris tropical fruity
        Substantivity :112 Hour(s)
  • Properties
      • Physical Properties
        Appearance :colorless to pale yellow clear liquid (est)
        Assay : 85.00 to 100.00 % sum of isomers
        Additional Assay Information :min 95% sum of isomers
        Food Chemicals Codex Listed :Yes
        Specific Gravity :0.92700 to 0.93500 @  25.00 °C.
        Pounds per Gallon - (est). : 7.714 to  7.780
        Specific Gravity :0.92800 to 0.93600 @  20.00 °C.
        Pounds per Gallon - est. : 7.731 to 7.798
        Refractive Index :1.49900 to 1.50400 @  20.00 °C.
        Boiling Point : 131.00 °C. @ 13.00 mm Hg
        Boiling Point : 237.00 to  238.00 °C. @ 760.00 mm Hg
        Vapor Pressure :0.014000 mm/Hg @ 25.00 °C. (est)
        Vapor Density :7 ( Air = 1 )
        Flash Point :> 230.00 °F. TCC ( > 110.00 °C. )
        logP (o/w) : 3.995
        Shelf Life : 24.00 month(s) or longer if stored properly.
        Storage :refrigerate in tightly sealed containers.
  • Safety
      • Safety Information
        Most important hazard(s) :Xi - Irritant
          R 36/38 - Irritating to skin and eyes.
        R 42/43 - May cause sensitization by inhalation and skin contact.
        S 02 - Keep out of the reach of children.
        S 24/25 - Avoid contact with skin and eyes.
        S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
        S 36 - Wear suitable protective clothing.
        Oral/Parenteral Toxicity : 
          intraperitoneal-mouse LD50  2277 mg/kg
        FAO Nutrition Meetings Report Series. Vol. 44A, Pg. 46, 1967.

        Dermal Toxicity : 
          Not determined
        Inhalation Toxicity : 
          Not determined
  • Safety in Use
      • Safety in Use Information
        Category :flavor and fragrance agents
        Maximised Survey-derived Daily Intakes (MSDI-EU) :270.00 (μg/capita/day)
        Maximised Survey-derived Daily Intakes (MSDI-USA) :150.00 (μg/capita/day)
        Structure Class :I
        IFRA Other Specification :<= 2% Pseudoionone
        IFRA :View Standard
        maximum skin levels for fine fragrances :
          1.0000 %  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 alpha-ionone fragrance usage levels up to :
          15.0000 % in the fragrance concentrate.
        use level in formulae for use in cosmetics :
          2.0100 %
        Dermal Systemic Exposure in Cosmetic Products :
         0.05 mg/kg/day (IFRA, 2002)
        Recommendation for alpha-ionone flavor usage levels up to :
          50.0000 ppm in the finished product.
  • Safety References
Flavor/Fragrance Formulas
(E)-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one (Click)
CAS Number : 127-41-3 30685-95-1
% from :79.00% to 94.00%
ESIS EC# (EINECS) :204-841-6
Beilstein Number :3197885
MDL :MFCD00001565
CoE Number :141
XlogP3-AA :3.00 (est)
Molecular Weight :192.30160000
Formula :C13 H20 O
BioActivity Summary :listing
NMR Predictor :Predict
Also(can) Contains :beta-ionone 4.00% to 20.00%
 gamma-ionone 1.00% to 8.00%
 pseudoionone 0.10% to 1.00%
Category :flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information :
Google Scholar : Search Google Books : Search
Google Scholar : with word "volatile"Search Google Scholar : with word "flavor"Search
Google Scholar : with word "odor"SearchPerfumer and Flavorist : Search
Google Patents : Search US Patents : Search
EU Patents : Search
Pubchem Patents:Search
PubMed : SearchNCBI : Search
JECFA Food Flavoring :388  alpha-ionone
Flavis Number :07.007 (Old site)
EU SANCO Food Flavourings :07.007  alpha-ionone

FEMA Number :2594  alpha-ionone
FDA Mainterm : ALPHA-IONONE
FDA Regulation :FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
click on the picture(s) below to
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Picture of molecule
(E)-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one
Synonyms :
 alphaline 70
3-buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-
(E)-alpha-cyclocitrylidene acetone
trans-alpha-cyclocitrylidene acetone
(±)-(E)-alpha-ionone
(±)-trans-alpha-ionone
(E)-a-ionone
(E)-alpha-ionone
a-ionone
nat.alpha-ionone
trans-alpha-ionone
alpha-ionone (natural)
alpha-ionone 50% in ETOH natural
alpha-ionone 60
alpha-ionone 70
alpha-ionone 80
alpha-ionone 90
alpha-ionone 90%, (naturals)
 ionone alpha
 ionone alpha regular
 ionone alpha white coeur
alpha-ionone BRI
alpha-ionone extra
alpha-ionone natural
alpha-ionone refined
alpha-ionone white coeur
alpha-ionone, natural
alpha-ionone, refined
alpha-ionone, regular
 irisone alpha
 irisone alpha extra white
(E)-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one
(E)-(±)-4,2,6,6-trimethyl-2-cyclohexen-1-yl-3-buten-2-one
trans-4,2,6,6-trimethyl-2-cyclohexen-1-yl-3-buten-2-one
(3E)-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
(E)-(±)-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
(E)-(1)-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
(E)-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
(3E)-(±)-4-(2,6,6-trimethyl-4-cyclohexen-1-yl)-3-buten-2-one
(3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
(3E)-4-(2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-one
Soluble in :
 alcohol
 dipropylene glycol
 fixed oils
 paraffin oil
 water, 1.00E+06 mg/L @ 25 °C (exp)
Insoluble in :
 water
 glycerin
Stability :
 acid cleaner
 alcoholic lotion
 antiperspirant
 deo stick
 detergent perborate
 fabric softener
 hard surface cleaner
 liquid detergent
 non-discoloring in most media
 shampoo
 soap
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