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dicyclopentadiene propionate
Dicyclopentadiene propionate is a fragrant ester known for its green, fruity, and woody odor qualities used primarily as a perfuming agent.
General Material Description
Dicyclopentadiene propionate, also known by synonyms such as tricyclodecenyl propionate and cyclaprop (IFF), is an organic ester characterized by the molecular formula C13H18O2. It displays a distinctive green, fruity, floral odor profile with woody and herbal nuances reminiscent of jasmine and basil. This compound is derived synthetically and is part of the cyclene family, often employed for its softer sensory qualities in fragrance applications. The PubChem entry for this substance (CID 3034895) provides further chemical details. It appears as a colorless liquid with characteristic odor properties used mainly in perfuming agents and fragrance formulations.
Occurrence, Applicability & Potential Uses
Dicyclopentadiene propionate does not occur naturally but is synthesized for use in fragrance industries. It provides green, woody, fruity, and herbal notes that enhance perfumes and personal care products. According to the IFRA (Global) standards, usage is limited to 10% in fragrance concentrates to ensure safe application. Its odor profile suits combinations aimed at cedar, citrus, rose, and other woody accords. Its role is primarily as a fragrance agent rather than a flavor ingredient due to its sensory and safety characteristics.
Physico-Chemical Properties Summary
This compound possesses a moderate molecular weight of 206.28 g/mol and an estimated logP value around 3.0 to 3.5, indicating balanced lipophilicity contributing to its solubility in alcohol and limited water solubility. The refractive index ranges between 1.489 and 1.493 at 20 °C, while its specific gravity lies around 1.048 to 1.056 at room temperature. The vapor pressure is very low at 0.005 mmHg at 25 °C, reflecting limited volatility. Its flash point measured by tag closed cup is approximately 94 °C (201 °F), implying relative thermal stability under normal handling conditions. Proper storage is required, protecting the substance from heat and light to maintain integrity over its typical shelf life of 24 months or longer if stored appropriately.
FAQ
What is dicyclopentadiene propionate and what are its main characteristics?
Dicyclopentadiene propionate is an organic ester used primarily as a fragrance ingredient. It has a molecular formula of C13H18O2 and a molecular weight of approximately 206.28 g/mol. It exhibits a green, fruity, and floral odor with woody and herbal undertones, making it valuable for perfuming agents. This compound is a synthetic derivative within the cyclene family and is recognized for its softer scent profile compared to related substances.
In what applications is dicyclopentadiene propionate commonly used and how should it be stored?
This ester is commonly employed as a fragrance agent in perfume and cosmetic formulations to provide green, woody, and fruity notes. It enhances accords such as cedar, citrus, and rose in complex blends. The compound dissolves well in alcohol and has limited water solubility, influencing its formulation parameters. Storage recommendations include keeping it in a cool, dry place, away from heat and direct light, within tightly sealed containers to preserve its stability and shelf life, which typically extends to 24 months or more under proper conditions.
What regulations apply to dicyclopentadiene propionate and how is its safety profile assessed?
Dicyclopentadiene propionate is subject to the IFRA (Global) Code of Practice, which recommends usage limits up to 10% in fragrance concentrates. It is not authorized for flavor use according to current assessments. Hazard identification studies report no classified hazards under OSHA HCS (29 CFR 1910), and no precautionary statements are mandated. Available safety data indicate no determined oral, dermal, or inhalation toxicity with no known regulatory restrictions beyond IFRA guidelines for perfumery use.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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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 |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2915.50.3000 |
| ChemSpider: | View |
General Material Information
| Preferred name | dicyclopentadiene propionate |
| Trivial Name | Tricyclodecenyl propionate |
| Short Description | cyclaprop (IFF) |
| Formula | C13 H18 O2 |
| CAS Number | 68912-13-0 |
| Deleted CAS Number | 183601-27-6 |
| ECHA Number | 272-805-7 |
| FDA UNII | 7MGZ636C87 |
| Nikkaji Number | J310.533D |
| xLogP3-AA | 3.00 (est) |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 206.28486633301 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.712 to 8.779 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.731 to 8.797 |
| Refractive Index | 1.489 to 1.493 @ 20 °C |
| Vapor Pressure | 0.005 mmHg @ 25 °C |
| Flash Point TCC Value | 93.89 °C TCC |
| logP (o/w) | 3.51 |
| 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 |
| water, 57.27 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Green | |
| fruity, herbal, woody, jasmin, oily, basil | |
| Substantivity | 144 Hour(s) |
| General comment | At 100.00 %. fruity herbal woody jasmin oily basil |
| Florocyclene has a sweet fruity floral note with aspects of jasmin and anise. This is the Propionate Ester of the Cyclene family, and is much softer than Jasmacyclene. It works well in combination with the other cyclenes. | Green, Fruity, Floral |
Potential Uses
| Applications | |
| Odor purposes | Cedar , Cedar , Citrus , Herbal , Rose , Woody |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| 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 dicyclopentadiene propionate usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Recommendation for dicyclopentadiene propionate flavor usage levels up to: | |||
| not for flavor use. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):68912-13-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :3034895 |
| National Institute of Allergy and Infectious Diseases:Data |
| 3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-1-yl propanoate |
| Chemidplus:0068912130 |