(E)-geranyl acetone
(E)-geranylacetone
Identification
| Name | (E)-geranyl acetone |
| IUPAC | (5E)-6,10-dimethylundeca-5,9-dien-2-one |
| CAS Number | 3796-70-1 |
| EINECS | 223-269-8 |
| FDA UNII | 9B7RY79U9Z |
| Molecular Formula | C13 H22 O |
| Molecular Weight | 194.31754000 |
| MDL Number | MFCD00008910 |
| Nikkaji Number | J24.231D |
| Beilstein | 1722277 |
| CoE Number | 11088 |
Regulatory
| JECFA Food Flavoring | 1122 6,10-dimethyl-5,9-undecadien-2-one |
| DG SANTE Food Flavourings | 07.123 (E)-geranylacetone |
| FEMA Number | 3542 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 3796-70-1 ; GERANYL ACETONE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.86100 to 0.86700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.164 to 7.214 |
| Refractive Index | 1.46300 to 1.47100 @ 20.00 °C. |
| Boiling Point | 92.00 to 93.00 °C. @ 2.50 mm Hg, 247.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.016000 mmHg @ 25.00 °C. (est) |
| Vapor Density | >1 ( Air = 1 ) |
| Flash Point | 230.00 °F. TCC ( 110.00 °C. ) |
| logP (o/w) | 4.129 (est) |
| Shelf Life | 12.00 month(s) or longer if stored properly. |
| Storage | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 192 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Green, fruity, waxy, woody, pear, rosy and guava with tropical nuances fresh, rose, magnolia-type apple; rose; woody; green; vegetable
|
| Odor sample from | Penta International Corporation |
| Taste Description |
floral fruity green tropical pear banana ylang fatty at 12.00 ppm. green fruity
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 > 5000 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for (E)-geranyl acetone usage levels up to | 10.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 41.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 2.00 (μg/capita/day) |
| Threshold of Concern | 540 (μg/person/day) |
| Structure Class | II |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| 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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