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rhubarb pyran
Rhubarb Pyran is a fragrance compound known for its medium-strength fruity aroma and application in perfuming agents.
General Material Description
Rhubarb Pyran, also known by its IUPAC designation 6-ethylideneoctahydro-5,8-methano-2H-1-benzopyran, is an oxygen-containing heterocyclic organic compound with the molecular formula C12H18O. It is recognized in fragrance chemistry for its characteristic medium-strength fruity odor reminiscent of rhubarb and floral notes, which contributes to its use in perfuming applications. The compound is associated with synonyms such as rhuboflor, a trade name by Firmenich. Rhubarb Pyran is a solid or liquid at ambient temperature with solubility in alcohol and limited water solubility. Structural and chemical details are indexed in databases such as PubChem, emphasizing its relevance in flavor and fragrance science. It is typically sourced through synthetic routes designed for fragrance agent production.
Occurrence, Applicability & Potential Uses
Rhubarb Pyran does not occur naturally in significant amounts but is synthesized for use primarily as a fragrance agent. It presents an olfactory profile that blends well with floral and green herbal notes, including rose, orris, lavender, and orange blossom. This compound contributes to complex fragrance compositions by imparting fruity and woody undertones, enhancing scents that include carrot seed, moss, hay, and root characteristics. The compound is utilized within perfuming agents following usage standards outlined by IFRA (Global), which recommends a maximum usage level of 5.0% in fragrance concentrates. While it is applied exclusively in perfumery, it is not recommended for flavoring uses according to current guidelines.
Physico-Chemical Properties Summary
Rhubarb Pyran exhibits physical properties that influence its formulation and application in fragrance products. It has a relatively high boiling point ranging from 257 to 259°C at standard atmospheric pressure, indicating stability under heating conditions typical for fragrance blending. Its estimated vapor pressure of 0.021 mmHg at 25°C and vapor density of 6.2 contribute to moderate volatility, affecting its substantivity in compositions. The compound shows moderate lipophilicity with an estimated log P of approximately 3.1, favoring solubility in alcohol and limited miscibility in water. Its flash point is approximately 93°C (200°F), indicating safe handling within typical cosmetic manufacturing parameters. Stability data from various product matrices show trace persistence at low percentages, which is relevant for product formulation and shelf life considerations.
FAQ
What is Rhubarb Pyran and what are its synonyms?
Rhubarb Pyran is a synthetic fragrance compound characterized by a medium-strength fruity odor with floral and woody undertones. Its molecular formula is C12H18O. Synonyms include 6-ethylideneoctahydro-5,8-methano-2H-1-benzopyran, rhuboflor (a trade name by Firmenich), and names such as 9-ethylidene-3-oxatricyclo[6.2.1.02,7]undecane. These names reflect the compound's chemical structure and different nomenclature conventions used in industry and research.
How is Rhubarb Pyran used and where does it occur naturally?
Rhubarb Pyran is primarily used in perfuming agents due to its distinctive fruity and floral scent profile. It synergizes well with notes of rose, orris, orange blossom, lavender, and herbal green elements, contributing to complex fragrance formulations. It does not naturally occur in significant quantities but is produced synthetically for industrial use. Recommended maximum usage levels in fragrances are regulated by IFRA (Global) to ensure product safety and performance.
What regulations cover Rhubarb Pyran and how is it sourced safely?
Rhubarb Pyran is subject to fragrance industry standards, including the IFRA Code of Practice (Global), which limits its use to a maximum of 5% in fragrance concentrates. Toxicological data indicate no significant hazards under OSHA HCS regulations in the United States, with oral and dermal LD50 values exceeding 5000 mg/kg in animal tests, indicating low acute toxicity. It is recommended for use within defined limits and handled according to standard safety guidelines. The compound is commercially sourced from specialized chemical manufacturers complying with REACH (EU) and other regional chemical safety regulations.
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 | rhubarb pyran |
| Trivial Name | 6-Ethylideneoctahydro-5,8-methano-2H-1-benzopyran |
| Short Description | rhuboflor |
| Formula | C12 H18 O |
| CAS Number | 93939-86-7 |
| ECHA Number | 300-376-9 |
| FDA UNII | Search |
| xLogP3-AA | 2.10 (est) |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
| Azelis UK | Ernesto Ventós |
| Firmenich | Penta International |
| Penta International Corporation | Ernesto Ventós S.A. |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 178.27465820312 |
| Boiling Point | 257 to 259°C @ 760 mm Hg |
| Vapor Pressure | 0.021 mmHg @ 25 °C |
| Vapor Density | 6.2 |
| Flash Point TCC Value | 93.33 °C TCC |
| logP (o/w) | 3.143 est |
| Solubility | |
| alcohol | Yes |
| water, 112 mg/L @ 25 °C (est) | Yes |
| Stability | |
| APC: traces - 0.5% | Unspecified |
| candle: traces - 1% | Unspecified |
| detergent: traces - 0.2% | Unspecified |
| fine fragrances: traces - 0.1% | Unspecified |
| shampoo: traces - 0.2% | Unspecified |
| shower gel: traces - 0.2% | Unspecified |
| soap: traces - 0.2% | Unspecified |
| softener: traces - 1% | Unspecified |
Organoleptic Properties
| Odor Type: Fruity | |
| floral, fruity, rhubarb, costus, woody, rooty, herbal, berry | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 48 hour(s) at 100.00 % |
| Luebke, William tgsc, (1985) | At 100.00 %. floral fruity rhubarb costus woody rooty |
| Surprising effects can be achieved at very low dosages. It blends well with rose, orris and orange flower notes and with the green herbal and lavender themes. | Powerful, green, fruity berry, floral and herbal note. The undertone recalls |
Potential Uses
| Applications | |
| Odor purposes | Carrot seed , Fruit , Green , Hay new mown hay , Herbal , Lavender , Moss , Orange blossom , Orris , Root , Rose , Woody |
| Flavoring purposes | Carrot seed |
| 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: | |
| oral-rat LD50 > 5000 mg/kg Surprising effects can be achieved at very low dosages. It blends well with rose, orris and orange flower notes and with the green herbal and lavender themes. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Surprising effects can be achieved at very low dosages. It blends well with rose, orris and orange flower notes and with the green herbal and lavender themes. | |
| 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 rhubarb pyran usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Recommendation for rhubarb pyran 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):93939-86-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6441164 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| (9Z)-9-ethylidene-3-oxatricyclo[6.2.1.02,7]undecane |
| Chemidplus:0093939867 |