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orris capronate
Orris capronate is ethyl 2-ethylhexanoate, an ester with a medium-strength orris-like odor used as a flavor and fragrance agent.
General Material Description
Orris capronate, also known commonly by its chemical name ethyl 2-ethylhexanoate and trade names such as irotyl, is a synthetic ester characterized by the molecular formula C10H20O2. This compound exhibits a medium-strength odor reminiscent of fresh orris root, combined with fruity, herbal, cumin, floral, earthy, and woody sensory notes. It is frequently utilized in flavor and fragrance formulations due to its distinctive orris-like scent. Orris capronate is represented in controlled chemical vocabularies, including PubChem (CID 102916), which provides linked chemical information and properties. The compound is typically synthesized for commercial use, reflecting its role in enhancing various products with complex floral and herbal aromatic profiles.
Occurrence, Applicability & Potential Uses
Orris capronate naturally does not occur in significant amounts but is prepared by synthetic esterification methods. It finds extensive application as a flavoring and fragrance agent, especially in the creation of perfuming products where its orris, herbal, mossy, violet, and woody notes enhance aromatic complexity. Its usage is normed under FEMA (US) standards, with FEMA number 4345 confirming its acceptance in flavor formulations. The compound is also addressed by REACH regulations (EU), ensuring compliance with safety and environmental guidelines. Its odor stability and moderate flash point permit inclusion in various cosmetic and flavoring compositions.
Physico-Chemical Properties Summary
Orris capronate is a relatively non-volatile ester with a molecular weight of approximately 172.27 g/mol and a formula C10H20O2. It exhibits a specific gravity near 0.86 at 25 °C and a refractive index range of 1.412 to 1.416 at 20 °C, indicative of its moderate density and optical properties. The compound’s vapor pressure at 25 °C is low, approximately 0.413 mmHg, supporting its sustained olfactory substantivity over extended durations. Its estimated logP value of 3.686 suggests a moderate lipophilicity influencing solubility; it is soluble in alcohol and slightly soluble in water under ambient conditions, which makes it compatible with many formulations. The flash point near 68 °C (155 °F) requires careful handling during manufacturing but does not greatly limit its typical applications.
FAQ
What is orris capronate and what are its main chemical characteristics?
Orris capronate is the ethyl ester of 2-ethylhexanoic acid, known chemically as ethyl 2-ethylhexanoate. It is a synthetic organic compound with formula C10H20O2 that emits a characteristic orris-like fragrance. It appears as a liquid with medium-strength herbal, floral, and woody odor notes. The compound is used primarily as a flavor and fragrance ingredient.
How is orris capronate typically used and what sensory profiles does it provide?
This compound is widely employed in perfumery and flavor formulation to impart herbal, orris, mossy, violet, and woody nuances. Its odor durability allows it to persist for extended periods in products. It blends well with alcohol and other solvents, facilitating its integration into diverse cosmetic and food flavoring applications. Usage guidelines specify maximum permissible concentration levels in formulations to maintain safety and regulatory compliance.
What regulations and safety considerations apply to orris capronate?
Orris capronate is regulated by agencies such as FEMA (US), where it has the FEMA number 4345 and is recognized as generally safe for use at specified levels in flavors. It is also subject to European REACH registration under ECHA number 221-043-3. Safety data classify it as an irritant to skin and eyes according to European classifications, requiring handling precautions. The compound’s flash point and toxicity profiles have been thoroughly evaluated to inform safe manufacturing and usage practices.
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 |
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 |
| HMDB (The Human Metabolome Database): | HMDB32264 |
| FooDB: | FDB009387 |
| ChemSpider: | View |
General Material Information
| Preferred name | orris capronate |
| Trivial Name | Ethyl 2-ethylhexanoate |
| Short Description | irotyl |
| Formula | C10 H20 O2 |
| CAS Number | 2983-37-1 |
| FEMA Number | 4345 |
| ECHA Number | 221-043-3 |
| FDA UNII | G42R59N31I |
| Nikkaji Number | J183.032E |
| NMR Predictor | External link |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 2983-37-1 ; ETHYL 2-ETHYLHEXANOATE |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 172.26780700684 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | |
| Refractive Index | 1.412 to 1.416 @ 20 °C |
| Vapor Pressure | 0.413 mmHg @ 25 °C |
| Flash Point TCC Value | 68.33 °C TCC |
| logP (o/w) | 3.686 est |
| Solubility | |
| alcohol | Yes |
| water, 38.59 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Orris | |
| fresh, orris, fruity, herbal, cumin, carrot | |
| Odor strength | medium |
| Substantivity | 44 hour(s) at 100.00 % |
| Luebke, William tgsc, (1986) | At 100.00 %. fresh orris fruity herbal cumin |
| Flavor Type: Orris | |
| orris, cumin, herbal, carrot, floral, earthy, woody | |
| Luebke, William tgsc, (1986) | Orris cumin herbal carrot floral earthy woody |
| General comment | Herbal |
Potential Uses
| Applications | |
| Odor purposes | Herbal , Moss , Orris , Violet , Woody |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| 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. | |
| Oral/Parenteral Toxicity: | |
| oral-mouse LD50 > 3100 mg/kg | |
| 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 orris capronate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| 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: 23 | |||
| Click here to view publication 23 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 4.00000 | 20.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | 1.00000 | 5.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 2.00000 | 10.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | 1.00000 | 5.00000 | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | 0.01000 | 0.04000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 2.00000 | 10.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | 0.01000 | 0.04000 | |
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):2983-37-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :102916 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| ethyl 2-ethylhexanoate |
| Chemidplus:0002983371 |