pseudoionone
3,5,9-undecatrien-2-one, 6,10-dimethyl-, (3E,5E)-
Identification
| Name | pseudoionone |
| IUPAC | (3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one |
| CAS Number | 141-10-6 |
| EINECS | 205-457-1 |
| FDA UNII | H1KUL01Y8O |
| Molecular Formula | C13 H20 O |
| Molecular Weight | 192.30160000 |
| MDL Number | MFCD00015038 |
| Nikkaji Number | J1.191F |
| Beilstein | 1722925 |
| CoE Number | 11191 |
Regulatory
| JECFA Food Flavoring | 2187 pseudoionone |
| DG SANTE Food Flavourings | 07.198 pseudoionone |
| FEMA Number | 4299 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 141-10-6 ; PSEUDOIONONE |
Physical Properties
| Appearance | yellow to dark yellow clear oily liquid (est) |
| Assay | 95.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.89400 to 0.90300 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.439 to 7.514 |
| Refractive Index | 1.52900 to 1.53500 @ 20.00 °C., 1.53346 @ 20.00 °C. |
| Boiling Point | 114.00 to 116.00 °C. @ 2.00 mm Hg, 143.00 to 145.00 °C. @ 12.00 mm Hg |
| Acid Value | 8.00 max. KOH/g |
| Vapor Pressure | 0.001000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 6.6 ( Air = 1 ) |
| Flash Point | 183.00 °F. TCC ( 83.89 °C. ) |
| logP (o/w) | 3.694 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | not used anymore |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 29 hour(s) at 100.00 % |
| Odor Description | at 100.00 %. |
| Odor sample from | Sigma-Aldrich |
| Taste Description | sweet floral grassy balsamic citrus waxy fatty spicy terpenic |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 > 5000 mg/kg |
| Dermal Toxicity | skin-rabbit LDLo 5000 mg/kg |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavoring agents |
| IFRA Critical Effect | Dermal sensitization |
| fragrance material specification | Pseudoionone should not be used as fragrance ingredient as such, but a level of up to 2% as an impurity in ionones is accepted. |
| Recommendation for pseudoionone usage levels up to | PROHIBITED: Should not be used as a fragrance ingredient. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.12 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 1600 (μg/person/day) |
| Threshold of Concern | 540 (μg/person/day) |
| Structure Class | II |
| baked goods | 5.00000 |
| beverages(nonalcoholic) | 2.00000 |
| beverages(alcoholic) | - |
| breakfast cereal | 2.00000 |
| cheese | 3.00000 |
| chewing gum | - |
| condiments / relishes | 2.00000 |
| confectionery froastings | 4.00000 |
| egg products | - |
| fats / oils | 2.00000 |
| fish products | 1.00000 |
| frozen dairy | 3.00000 |
| fruit ices | 3.00000 |
| gelatins / puddings | 5.00000 |
| granulated sugar | - |
| gravies | 2.00000 |
| hard candy | - |
| imitation dairy | 3.00000 |
| instant coffee / tea | - |
| jams / jellies | 5.00000 |
| meat products | 1.00000 |
| milk products | 3.00000 |
| nut products | - |
| other grains | 2.00000 |
| poultry | 1.00000 |
| processed fruits | 2.00000 |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 2.00000 |
| snack foods | - |
| soft candy | - |
| soups | 2.00000 |
| sugar substitutes | - |
| sweet sauces | 2.00000 |
| Dairy products, excluding products of category 02.0 (01.0) | 3.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 2.00000 |
| Edible ices, including sherbet and sorbet (03.0) | 3.00000 |
| Processed fruit (04.1) | 2.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 4.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 2.00000 |
| Bakery wares (07.0) | 5.00000 |
| Meat and meat products, including poultry and game (08.0) | 1.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 1.00000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 2.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 3.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 2.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 4.00000 |
| Ready-to-eat savouries (15.0) | 5.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 2.00000 |
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Potential Uses
Natural Occurrence
Synonyms
citrylidene acetone
2,6-
dimethyl undeca-2,6,8-triene-10-one
6,10-
dimethyl undeca-3,5,9-trien-2-one
(3E,5E)-6,10-
dimethyl-2-undeca-3,5,9-trienone
(3E,5E)-6,10-
dimethyl-3,5,9-undecatrien-2-one
6,10-
dimethyl-3,5,9-undecatrien-2-one
6,10-
dimethyl-3,5,9-undecatriene-2-one
(3E,5E)-6,10-
dimethyl-undeca-3,5,9-trien-2-one
2,6-
dimethylhendeca-2,6,8-trien-10-one
(3E,5E)-6,10-
dimethylundeca-3,5,9-trien-2-one
.psi.-
ionone
2-pseudo
ionone
phi-
ionone
psi-
ionone
3,5,9-
undecatrien-2-one, 6,10-dimethyl-, (3E,5E)-
3,5,9-
undecatrien-2-one, 6,10-dimethyl-, (E,E)-
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