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citronellyl formate
General Material Information
| Preferred name | citronellyl formate |
| Trivial Name | Citronellyl formate |
| Short Description | 3,7-dimethyl-6-octen-1-yl formate |
| Formula | C11 H20 O2 |
| CAS Number | 105-85-1 |
| FEMA Number | 2314 |
| Flavis Number | 9.078 |
| ECHA Number | 203-338-9 |
| FDA UNII | 7B1MY2BRDK |
| Nikkaji Number | J2.854A |
| Beilstein Number | 1723215 |
| MDL | MFCD00021050 |
| COE Number | 345 |
| xLogP3-AA | 3.80 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 53 citronellyl formate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 105-85-1 ; CITRONELLYL FORMATE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| 3,7-dimethyloct-6-enyl formate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 105-85-1 |
| Pubchem (cid): | 7778 |
| Pubchem (sid): | 134971332 |
| Pherobase: | View |
Other Information
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C12295 |
| HMDB (The Human Metabolome Database): | HMDB33371 |
| FooDB: | FDB011401 |
| Export Tariff Code: | 2915.13.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 184.27879333496 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.406 to 7.514 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.423 to 7.489 |
| Refractive Index | 1.443 to 1.45 @ 20 °C |
| Boiling Point | 97 to 98°C @ 11 mm Hg |
| Acid Value | 2 max KOH/g |
| Vapor Pressure | 0.03 mmHg @ 25 °C |
| Vapor Density | 6.3 |
| Flash Point TCC Value | 90.56 °C TCC |
| logP (o/w) | 3.8 |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| fixed oils | Yes |
| water, 19.61 mg/L @ 25 °C (est) | Yes |
| glycerin | No |
| Stability | |
| alcoholic fine fragrance | Good |
| fabric softener | Good |
| liquid detergent | Good |
| toiletry application | Good |
| deo stick | Unspecified |
| detergent perborate | Unspecified |
| shampoo | Unspecified |
| antiperspirant | Fair |
Organoleptic Properties
| Odor Type: Floral | |
| bergamot, cucumber, rose, apricot, peach, plum, sweet, green, waxy, floral, citrus, fruity, mandarin | |
| Odor strength | medium |
| Substantivity | 40 hour(s) at 100.00 % |
| Luebke, William tgsc, (1992) | At 100.00 %. bergamot cucumber rose apricot peach plum |
| Mosciano, Gerard P&F 23, No. 2, 43, (1998) | Sweet, green, waxy, floral, apricot, citrus, fruity and mandarin |
| Flavor Type: Fruity | |
| green, fruity, peach, berry, citrus, apple | |
| Mosciano, Gerard P&F 23, No. 2, 43, (1998) | At 20.00 ppm. Green, fruity, peach, berry, citrus and apple |
| Used in pear, peach, mango, star fruit, mango and grape flavors. | Fruity |
| Useful in: fruity citrus, fruity yellow, fruity tropical, fruity others, sweet others. | Strong geranium, rose character, slightly citrus, fruity, sweet |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia , Apple , Apricot , Banana , Bergamot , Berry , Cucumber , Fruit , Geranium , Grape , Green , Guava , Honey , Hyacinth , Lily of the valley , Mandarin , Mango , Oriental , Patchouli , Peach , Pear , Plum , Rose , Rose white rose , Stephanotis , Tangerine , Woody |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Human Experience: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| gavage-rat LD50 [sex: M/F] 8400 mg/kg (Calandra, 1971) oral-rat LD50 8400 mg/kg Food and Cosmetics Toxicology. Vol. 11, Pg. 1073, 1973. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| 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) | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 32.00000 | |
| beverages(nonalcoholic): | - | 14.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 63.00000 | 100.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 13.00000 | |
| fruit ices: | - | 13.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 19.00000 | |
| 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: | - | - | |
Safety references
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4 View page or View pdf |
| Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Safety and efficacy of non-conjugated and accumulated unsaturated straight-chain and branched-chain, aliphatic primary alcohols, aldehydes, acids, acetals and esters belonging to chemical group 4 when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):105-85-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7778 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 3,7-dimethyloct-6-enyl formate |
| Chemidplus:0000105851 |
| RTECS:RH3480000 for cas# 105-85-1 |