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methyl bicycloheptenyl methyloxirane carboxylate
Methyl bicycloheptenyl methyloxirane carboxylate is a fragrance compound known for its fruity, floral, and tropical aroma used in perfuming agents.
General Material Description
Methyl bicycloheptenyl methyloxirane carboxylate, also known by its trivial name glycomel, is a bicyclic oxirane carboxylate ester with the molecular formula C12H16O3. It appears as a fragrance compound characterized by a fruity floral odor profile, featuring sweet and jasmine-like nuances alongside magnolia, clover, and melon notes. Synonyms for this compound include methyl 3-bicyclo[2.2.1]hept-5-en-2-yl-3-methyl-2-oxiranecarboxylate and related systematic names indicating its bicyclic and oxirane structural elements. This material is principally obtained through chemical synthesis tailored for fragrance applications. For detailed chemical information, it is linked with the controlled vocabulary entry at PubChem CID 166246. The compound’s sensory characteristics make it valuable for perfuming and flavoring contexts where a tropical or floral note is desired.
Occurrence, Applicability & Potential Uses
Methyl bicycloheptenyl methyloxirane carboxylate is a synthetic fragrance agent not known to occur naturally in biological systems. It finds use predominantly as a perfuming agent imparting fruity, floral, and tropical notes. The compound’s organoleptic qualities include nuances of jasmin, magnolia, clover, and melon, making it suitable for enhancing complex fragrance blends. In flavor applications, it provides tropical fruit character but its use is not recommended at flavor usage levels according to IFRA (International Fragrance Association) standards globally. IFRA (Global) guidelines provide the framework regulating its safe inclusion in consumer products. The compound’s suitability in fragrance formulations is supported by its pleasant aroma and compatibility with alcohol solvents.
Physico-Chemical Properties Summary
Methyl bicycloheptenyl methyloxirane carboxylate exhibits a boiling point range around 261 to 262°C at 760 mm Hg, indicating moderate volatility suited to fragrance applications. Its vapor pressure at 25°C is low, approximately 0.012 mm Hg, implying limited evaporation under ambient conditions. The compound is soluble in alcohol and sparingly soluble in water (around 68.25 mg/L at 25°C). Its estimated logP of 1.893 suggests moderate lipophilicity, affecting its distribution in formulations. The flash point measured at 219°F (104°C) confirms it has a relatively high ignition threshold, improving handling safety during production. These physico-chemical properties together influence formulation stability, volatility, and sensory release in perfumes and related products.
FAQ
What is methyl bicycloheptenyl methyloxirane carboxylate and what are its main characteristics?
Methyl bicycloheptenyl methyloxirane carboxylate, also known as glycomel, is a synthetic fragrance compound with a bicyclic oxirane ester structure. It is recognized for its fruity and floral odor profile, exhibiting notes reminiscent of jasmine, magnolia, clover, and melon. The molecular formula is C12H16O3, and it appears as a colorless substance used primarily in perfuming agents. The compound’s aromatic characteristics make it valuable for creating tropical and floral scent impressions in fragrances.
How is methyl bicycloheptenyl methyloxirane carboxylate used and where does it typically appear?
This compound is mainly utilized as a fragrance agent in perfumery due to its distinctive fruity and floral aroma. It is effective in imparting tropical, jasmine, magnolia, clover, and melon notes within fragrance blends. Although it has some tropical flavoring potential, it is generally recommended not to be used in flavor formulations according to IFRA (Global) recommendations. Methyl bicycloheptenyl methyloxirane carboxylate is soluble in alcohol solvents, which facilitates its incorporation into various cosmetic and fragrance products.
What are the regulatory considerations and sourcing information for methyl bicycloheptenyl methyloxirane carboxylate?
Methyl bicycloheptenyl methyloxirane carboxylate is assessed under IFRA (International Fragrance Association) standards globally, which recommend specific use limitations, primarily excluding it from flavor applications. Safety classification according to OSHA regulation does not identify significant hazards. The substance is registered under CAS number 72175-33-8 and included in the European Chemicals Agency database with EC number 276-437-8, supporting regulatory compliance in the EU and elsewhere. It is synthesized commercially for fragrance applications, with referenced safety and toxicology data available from sources such as the RIFM Fragrance Material Safety Assessment and public chemical registries.
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 |
| HMDB (The Human Metabolome Database): | Search |
| ChemSpider: | View |
General Material Information
| Preferred name | methyl bicycloheptenyl methyloxirane carboxylate |
| Trivial Name | Methyl 3-bicyclo[2.2.1]hept-5-en-2-yl-3-methyl-2-oxiranecarboxylate |
| Short Description | glycomel |
| Formula | C12 H16 O3 |
| CAS Number | 72175-33-8 |
| ECHA Number | 276-437-8 |
| FDA UNII | Search |
| Nikkaji Number | J295.202E |
| xLogP3-AA | 1.70 (est) |
| NMR Predictor | External link |
| Synonyms |
|
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 208.25712585449 |
| Boiling Point | 261 to 262°C @ 760 mm Hg |
| Vapor Pressure | 0.012 mmHg @ 25 °C |
| Flash Point TCC Value | 103.7 °C TCC |
| logP (o/w) | 1.893 est |
| Solubility | |
| alcohol | Yes |
| water, 68.25 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| fruity, floral, sugar, jasmin, magnolia, rose, clover, melon | |
| General comment | At 10.00 % in dipropylene glycol. fruity floral sugary jasmin magnolia rose clover melon |
Potential Uses
| Applications | |
| Odor purposes | Clover , Floral , Fruit , Jasmin , Magnolia , Melon |
| Flavoring purposes | Tropical |
| 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 methyl bicycloheptenyl methyloxirane carboxylate 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):72175-33-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :166246 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| methyl 3-(5-bicyclo[2.2.1]hept-2-enyl)-3-methyloxirane-2-carboxylate |
| Chemidplus:0072175338 |