geranyl isobutyrate
trans-3,7-dimethyl-2,6-octadien-1-yl isobutyrate
Identification
| Name | geranyl isobutyrate |
| IUPAC | [(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate |
| CAS Number | 2345-26-8 |
| EINECS | 219-062-7 |
| FDA UNII | P6D2F72907 |
| Molecular Formula | C14 H24 O2 |
| Molecular Weight | 224.34368000 |
| MDL Number | MFCD00151390 |
| Nikkaji Number | J35.370A |
| CoE Number | 306 |
Regulatory
| JECFA Food Flavoring | 72 geranyl isobutyrate |
| DG SANTE Food Flavourings | 09.431 geranyl isobutyrate |
| FEMA Number | 2513 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 2345-26-8 ; GERANYL ISOBUTYRATE |
| 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 |
| Equivalence Factor for Assay | 112.17 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.88500 to 0.90500 @ 25.00 °C., 0.88500 to 0.89300 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.364 to 7.531 |
| Pounds per Gallon - est. | 7.373 to 7.439 |
| Refractive Index | 1.43900 to 1.45900 @ 20.00 °C. |
| Boiling Point | 135.00 °C. @ 13.00 mm Hg, 240.00 to 242.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.002000 mmHg @ 25.00 °C. (est) |
| Vapor Density | >1 ( Air = 1 ) |
| Flash Point | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w) | 4.767 (est) |
| can have "US Certifcate of freedom from artifical flavor(s)" | Yes |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 9 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Sweet, floral, fruity and green with powdery citrus nuances A sour, rosy, fruity, buttery aroma A sweet fruity apple note with waxy undertones A sour, rosy, fruity, buttery aroma floral, fruity; rose-like
|
| Odor sample from | International Flavors & Fragrances Inc. |
| Natural Odor Description | at 100.00 %. |
| Natural odor sample from | Alfrebro LLC/ Archer Daniels Midland Company |
| Taste Description |
at 30.00 ppm. floral floral rosy, fruity; sweet floral and citrusy
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 10 % solution: no irritation or sensitization. |
| 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 geranyl isobutyrate usage levels up to | 5.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 110.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 3.00 (μg/capita/day) |
| Structure Class | I |
| 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 | - |
Alfrebro LLC/ Archer Daniels Midland Company
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