citronellyl isobutyrate
3,7-dimethyl-6-octenyl isobutyrate
Identification
| Name | citronellyl isobutyrate |
| IUPAC | 3,7-dimethyloct-6-enyl 2-methylpropanoate |
| CAS Number | 97-89-2 |
| EINECS | 202-616-7 |
| FDA UNII | 5RZR3JKW1P |
| Molecular Formula | C14 H26 O2 |
| Molecular Weight | 226.35962000 |
| MDL Number | MFCD00026443 |
| Nikkaji Number | J182.124E |
| CoE Number | 296 |
Regulatory
| JECFA Food Flavoring | 71 citronellyl isobutyrate |
| DG SANTE Food Flavourings | 09.421 citronellyl isobutyrate |
| FEMA Number | 2313 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 97-89-2 ; CITRONELLYL ISOBUTYRATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 0.87000 to 0.88000 @ 25.00 °C., 0.87400 to 0.88200 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.239 to 7.322 |
| Pounds per Gallon - est. | 7.281 to 7.348 |
| Refractive Index | 1.44000 to 1.44800 @ 20.00 °C. |
| Boiling Point | 249.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.005000 mmHg @ 20.00 °C. |
| Vapor Density | 7.7 ( Air = 1 ) |
| Flash Point | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w) | 5.068 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Stability | alcoholic fine fragrance, good |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 68 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Sweet, fruity, citrus like with a green tropical nuance green, fresh lemon, rose waxy, fruity, green, with a citrus tropical nuance; slightly rose-floral Citrus, Floral, Fruity, Sweet SWEET, FRUITY, ROSE-LIKE
|
| Odor sample from | International Flavors & Fragrances Inc. |
| Taste Description |
at 25.00 ppm. green SWEET, REMINISCENT TO APRICOT
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 4% in petrolatum produced no irritation or sensitization in humans. |
| Oral/Parenteral Toxicity | oral-rat LD50 5000 mg/kg |
| Dermal Toxicity | Not determined |
| 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 citronellyl isobutyrate usage levels up to | 8.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 11.00 (μg/capita/day) |
| 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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