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cascalone (Firmenich)
Cascalone is a marine-scented fragrance agent known for its fresh, watery, fruity, and sweet aroma used primarily in perfumery.
General Material Description
Cascalone (CAS 950919-28-5) is a synthetic fragrance compound scientifically named 7-(1-methylethyl)-2H-1,5-benzodioxepin-3(4H)-one. It presents as a clear substance with molecular formula C12H14O3. Cascalone is notable for its high substantivity and distinctly fresh, marine-type odor characterized by watery, fruity, and sweet notes with a transparent floral signature. It is a key ingredient for imparting natural and clean freshwater impressions in perfumery. The compound is derived chemically and is well documented in public chemical databases such as PubChem. Its aromatic profile makes it valuable in creating aquatic and coastal fragrance accords.
Occurrence, Applicability & Potential Uses
Cascalone is a synthetic molecule with no natural biological occurrence reported, primarily utilized as a fragrance agent. Its marine and aquatic odor qualities lend themselves to formulations seeking to evoke fresh and clean water notes. Cascalone is employed predominantly in fine fragrance and perfumery to enrich compositions with a naturalistic watery floral character. Regulatory evaluations referenced include the IFRA (International Fragrance Association) Code of Practice (Global), which provides usage guidelines to ensure safe application in fragrances.
Physico-Chemical Properties Summary
Cascalone has a molecular weight of approximately 206.24 g/mol and a calculated logP value near 2.58, indicating moderate lipophilicity and potential for good cosmetic formulation compatibility. It exhibits water solubility estimated at about 57 mg/L at 25 °C, sufficient for blending in polar solvents. These properties support its effective evaporation and diffusion in fragrance delivery. Cascalone's high odor substantivity, lasting over 330 hours at full concentration, reflects its stability and sustained aroma release, important attributes in durable fragrance design.
FAQ
What is cascalone and what are its main characteristics?
Cascalone is a synthetic fragrance compound known chemically as 7-(1-methylethyl)-2H-1,5-benzodioxepin-3(4H)-one with CAS number 950919-28-5. It is characterized by a fresh, marine scent with watery, fruity, and sweet nuances. This compound has a high odor substantivity and is used primarily in perfumery to impart natural aquatic and floral impressions.
How is cascalone used and where is it typically applied?
Cascalone is mainly applied as a fragrance ingredient in formulations that require a fresh, aquatic aroma. It is commonly found in fine perfumes to add a clean, watery signature reminiscent of natural freshwater environments. Although synthetic, cascalone mimics marine notes and is used worldwide under fragrance industry standards. Its physical properties allow it to blend well in solvents like dipropylene glycol.
What regulations or safety standards apply to cascalone in fragrance use?
Cascalone's use in fragrances is subject to directives such as the IFRA Code of Practice (Global), which governs safe concentration levels and application conditions. Current safety assessments indicate no significant hazard classifications under OSHA (US) guidelines. It is not intended for flavor use and safety data are available through resources such as the RIFM Fragrance Material Safety Assessment. Regulatory records provide toxicological and exposure references confirming its controlled application in perfumery.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
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| 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 |
| HMDB (The Human Metabolome Database): | Search |
General Material Information
| Preferred name | cascalone (Firmenich) |
| Trivial Name | 7-(1-Methylethyl)-2H-1,5-benzodioxepin-3(4H)-one |
| Short Description | 2H-1,5-benzodioxepin-3(4H)-one, 7-(1-methylethyl)- |
| Formula | C12 H14 O3 |
| CAS Number | 950919-28-5 |
| FDA UNII | Search |
| Nikkaji Number | J2.497.034E |
| xLogP3-AA | 2.60 (est) |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
| Ernesto Ventós | Firmenich |
| Ernesto Ventós S.A. |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 206.24118041992 |
| logP (o/w) | 2.58 |
| Solubility | |
| water, 57.11 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Marine | |
| marine, watery, fruity, clean | |
| Odor strength | high |
| Substantivity | 336 hour(s) at 100.00 % |
| General comment | At 1.00 % in dipropylene glycol. fresh marine watery fruity clean sweet |
| A sweet, watery version of CALONE ® with a transparent floral signature. CASCALONE ® is used to bring a natural and clean freshwater signature from top to base note. | Fresh, aquatic ingredient, with watery, fruity undertones |
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 cascalone (Firmenich) 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):950919-28-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :22934582 |
| National Institute of Allergy and Infectious Diseases:Data |
| 7-propan-2-yl-1,5-benzodioxepin-3-one |
| Chemidplus:0950919285 |