citronellyl formate
3,7-dimethyl-6-octen-1-yl formate
Identification
| Name | citronellyl formate |
| IUPAC | 3,7-dimethyloct-6-enyl formate |
| CAS Number | 105-85-1 |
| EINECS | 203-338-9 |
| FDA UNII | 7B1MY2BRDK |
| Molecular Formula | C11 H20 O2 |
| Molecular Weight | 184.27880000 |
| MDL Number | MFCD00021050 |
| Nikkaji Number | J2.854A |
| Beilstein | 1723215 |
| CoE Number | 345 |
Regulatory
| JECFA Food Flavoring | 53 citronellyl formate |
| DG SANTE Food Flavourings | 09.078 citronellyl formate |
| FEMA Number | 2314 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 105-85-1 ; CITRONELLYL FORMATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 96.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 0.89000 to 0.90300 @ 25.00 °C., 0.89100 to 0.89900 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.406 to 7.514 |
| Pounds per Gallon - est. | 7.423 to 7.489 |
| Refractive Index | 1.44300 to 1.45000 @ 20.00 °C. |
| Boiling Point | 235.00 °C. @ 760.00 mm Hg, 97.00 to 98.00 °C. @ 11.00 mm Hg |
| Acid Value | 2.00 max. KOH/g |
| Vapor Pressure | 0.030000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 6.3 ( Air = 1 ) |
| Flash Point | 195.00 °F. TCC ( 90.56 °C. ) |
| logP (o/w) | 3.800 |
| Shelf Life | 24.00 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 | glycerin |
| Stability | alcoholic fine fragrance, good |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 40 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Sweet, green, waxy, floral, apricot, citrus, fruity and mandarin A tropical, fruity, rose odor Fresh citrus, grapefruit rind note similar to Limonene apricot; honey; peach; plum; rose Fruity, Floral, Rose, Honey green, fresh floral, fruity elements, pear, geranium sweet, leafy-green, citrus, fruity (apricot) FLORAL, CUCUMBER, APRICOT, BERGAMOT Citrus, Dry, Floral, Fresh, Fruity, Green, Honey, Leafy/ Leaf Green (bergamot), fresh flowers, fruit (apricots) with hints of pear and geranium
|
| Odor sample from | CA Aromatics Company Inc. |
| Taste Description |
at 20.00 ppm. fruity strong geranium, rose character, slightly citrus, fruity, sweet
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 4 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | gavage-rat LD50 [sex: M/F] 8400 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 formate usage levels up to | 5.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 87.00 (μg/capita/day) |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 63.00000 |
| 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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