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rhodinyl propionate
Rhodinyl propionate is an ester flavor and fragrance compound known for its floral and fruity aroma notes, primarily used in perfumery and flavoring applications.
General Material Description
Rhodinyl propionate is a synthetic ester compound classified chemically as 3,7-dimethyl-7-octen-1-yl propionate, with the molecular formula C13H24O2. It appears as a clear liquid and possesses distinct olfactory properties characterized by floral notes reminiscent of rose, geranium, and verbena, complemented by a fruity almond-like flavor. Known also by numerous synonyms such as 3,7-dimethyl-7-octenyl propanoate and rhodinyl propanoate, this compound is utilized widely in the flavor and fragrance industries. Comprehensive data and structural information for rhodinyl propionate can be found in authoritative databases like PubChem. The compound is generally sourced through chemical synthesis, producing an ingredient suitable for aromatic applications addressing a variety of sensory profiles.
Occurrence, Applicability & Potential Uses
Rhodinyl propionate does not naturally occur in significant quantities in biological systems but is valued chiefly as a synthetic ingredient in commercial flavor and fragrance formulations. Its primary uses include imparting floral and fruity characteristics, specifically almond, geranium, plum, and verbena nuances, enhancing complexity and depth in perfuming agents. This substance is recognized under the FEMA GRAS (US) program and is subject to usage recommendations laid out by the IFRA (Global) standards, which govern safe concentration levels in fragrance compositions to ensure consumer safety. As a versatile ester, it finds applications in perfumes, personal care products, and selected food flavorings at controlled levels.
Physico-Chemical Properties Summary
Rhodinyl propionate is a lipophilic ester characterized by a molecular weight of approximately 212.33 g/mol. Its predicted log P value of about 4.7 indicates a high affinity for lipid environments, influencing its solubility and distribution in formulations. The vapor pressure is very low, around 0.005 mmHg at 25°C, indicating limited volatility under ambient conditions. The compound exhibits moderate solubility in alcohols and only slight solubility in water, consistent with its hydrophobic structural components. Its flash point is estimated near 193°F (approximately 89°C), which helps define its handling and storage parameters. These physicochemical traits are pivotal for its stability and performance in flavors and fragrances, affecting evaporation rates, miscibility, and sensory release profiles.
FAQ
What is rhodinyl propionate and how is it used?
Rhodinyl propionate is a synthetic ester compound commonly used as a flavor and fragrance ingredient. It provides floral and fruity aroma notes such as almond, geranium, plum, and verbena. In perfumery and flavor formulations, it adds depth and complexity. The compound is employed at controlled concentrations in various consumer products like perfumes and flavored foods due to its characteristic scent and taste profile.
Where does rhodinyl propionate occur naturally and what are its main applications?
Rhodinyl propionate is primarily a synthetic chemical and does not have a significant natural biological occurrence. It is manufactured through chemical synthesis to deliver consistent sensory qualities. Its main applications include use as a perfume ingredient and a flavor additive that imparts floral and fruity characteristics. Industries employ it under regulatory guidance to enhance product aromatic profiles while maintaining safety standards.
What regulations apply to rhodinyl propionate and what safety data is available?
Rhodinyl propionate is regulated under IFRA (Global) standards, which provide recommendations for its maximum permissible levels in fragrance compositions, typically up to 4% concentration in concentrates. Additionally, it is recognized by FEMA (US) as generally regarded as safe (GRAS) for flavoring use. Safety assessments indicate low acute toxicity with no significant irritation at typical use levels. However, European classification lists it as a skin irritant. Comprehensive toxicological data and official evaluations by organizations such as EFSA and JECFA support its monitored usage in consumer products.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
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| EU Patents | Start search |
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| 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): | HMDB37187 |
| FooDB: | FDB016189 |
| Export Tariff Code: | 2915.50.3000 |
| ChemSpider: | View |
General Material Information
| Preferred name | rhodinyl propionate |
| Trivial Name | 7-Octen-1-ol, 3,7-dimethyl-, 1-propanoate |
| Short Description | 3,7-dimethyl-7-octen-1-yl propionate |
| Formula | C13 H24 O2 |
| CAS Number | 105-89-5 |
| FEMA Number | 2986 |
| Flavis Number | 9.141 |
| ECHA Number | 203-343-6 |
| FDA UNII | M2LMF0103E |
| Nikkaji Number | J182.202K |
| COE Number | 422 |
| xLogP3-AA | 4.50 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 64 rhodinyl propionate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 105-89-5 ; RHODINYL PROPIONATE |
| Synonyms |
|
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 212.33268737793 |
| Vapor Pressure | 0.005 mmHg @ 25 °C |
| Flash Point TCC Value | 89.44 °C TCC |
| logP (o/w) | 4.715 est |
| Solubility | |
| alcohol | Yes |
| water, very slightly | Yes |
| water, 1.57 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Floral | |
| rose, geranium, verbena | |
| General comment | At 100.00 %. rose geranium verbena |
| Flavor Type: Fruity | |
| almond | |
| General comment | Almond |
Potential Uses
| Applications | |
| Odor purposes | Almond , Geranium , Plum , Verbena |
| Other purposes | Depth |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. 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: | |
| oral-rat LD50 > 5000 mg/kg (Moreno, 1976h) oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 901, 1979. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 901, 1979. | |
| 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 rhodinyl propionate usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | ND (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: | - | 5.80000 | |
| beverages(nonalcoholic): | - | 1.80000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.40000 | |
| fruit ices: | - | 2.40000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 4.90000 | |
| 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 |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):105-89-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7781 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 3,7-dimethyloct-7-enyl propanoate |
| Chemidplus:0000105895 |