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dihydrorose oxide
Dihydrorose oxide is a floral-scented oxane compound used primarily as a fragrance agent in perfumery and cosmetics.
General Material Description
Dihydrorose oxide is a chemical compound classified as a substituted oxane with the molecular formula C10H20O. It appears as a colorless to pale liquid and is known for its medium intensity floral odor characterized by rose, geranium, green, and herbal notes. Synonyms include dihydrorosan, 2-iso butyl-4-methyltetrahydro-2H-pyran, and rose dihydrooxide, among others. Its pleasant aroma renders it valuable in the flavor and fragrance industries. The compound can be sourced through chemical synthesis and is valued for its use in perfumery. For detailed chemical information, dihydrorose oxide is linked in PubChem under CID 114530.
Occurrence, Applicability & Potential Uses
Dihydrorose oxide naturally occurs as a minor constituent in various plants, contributing to their distinctive floral and herbal aromas. It is widely utilized as a fragrance agent in perfuming applications, imparting floral and green notes with accents of rose, geranium, lavandin, and lavender. According to IFRA (Global) standards, its use is approved in fragrance concentrates at levels up to 2.0%. Its scent profile also includes subtle metallic nuances, making it versatile for creating complex aromatic blends. Dihydrorose oxide does not have flavor use recommendations.
Physico-Chemical Properties Summary
This compound's boiling point ranges from 180 to 181°C at standard atmospheric pressure, indicating moderate volatility conducive to fragrance evaporation profiles. Its vapor pressure at 25°C is approximately 1.13 mmHg, reflecting a balance that supports diffusion into the air without excessive loss. With a logP value estimated around 3.4, dihydrorose oxide exhibits moderate lipophilicity, affecting its solubility in various solvents. It is soluble in alcohol and has limited water solubility (~53 mg/L at 25°C estimated), a factor that influences formulation in aqueous products. The flash point near 56.7°C (134°F) suggests standard handling precautions for flammable liquids apply.
FAQ
What is dihydrorose oxide and what are its main characteristics?
Dihydrorose oxide is a chemical compound classified as an oxane derivative with the molecular formula C10H20O. It possesses a medium-strength floral odor reminiscent of rose, geranium, and herbal notes. It is commonly used as a fragrance ingredient due to its pleasing aromatic profile and moderate substantivity, which typically lasts around four hours at pure concentration.
How and where is dihydrorose oxide used, and what are its typical applications?
This compound is primarily employed as a fragrance agent in perfumery and cosmetic formulations. It imparts floral, green, and herbal nuances with additional accents of lavandin and lavender. It is added at low concentrations, generally recommended up to 2.0% in fragrance concentrates compliant with IFRA (Global) standards. Dihydrorose oxide's balance of volatility and lipophilicity supports use in a variety of aromatic products but is not intended for flavoring applications.
What regulations and safety considerations apply to dihydrorose oxide?
Dihydrorose oxide is recognized under IFRA (Global) guidelines, with use restricted to fragrance applications at specified concentrations. The compound shows no classified hazards under OSHA's Hazard Communication Standard, and no precautionary or hazard statements have been identified. Comprehensive safety evaluations include assessments by RIFM and regulatory bodies, confirming it can be safely used within recommended limits. It is not approved for flavor use. Regulatory compliance and proper handling in formulations are advised.
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 | dihydrorose oxide |
| Trivial Name | Dihydrorose oxide |
| Short Description | dihydrorosan |
| Formula | C10 H20 O |
| CAS Number | 13477-62-8 |
| ECHA Number | 236-770-1 |
| FDA UNII | Search |
| Nikkaji Number | J39.624I |
| xLogP3-AA | 3.10 (est) |
| NMR Predictor | External link |
| Synonyms |
|
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 156.26860046387 |
| Boiling Point | 180 to 181°C @ 760 mm Hg |
| Vapor Pressure | 1.13 mmHg @ 25 °C |
| Flash Point TCC Value | 56.67 °C TCC |
| logP (o/w) | 3.444 est |
| Solubility | |
| alcohol | Yes |
| water, 52.98 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Floral | |
| rose, geranium, green, herbal, metallic | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1984) | At 10.00 % in dipropylene glycol. rose geranium green herbal metallic |
Potential Uses
| Applications | |
| Odor purposes | Geranium , Green , Herbal , Lavandin , Lavender , Rose |
| Other purposes | Metallic |
| 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 dihydrorose oxide usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Recommendation for dihydrorose oxide 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):13477-62-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :114530 |
| National Institute of Allergy and Infectious Diseases:Data |
| 4-methyl-2-(2-methylpropyl)oxane |
| Chemidplus:0013477628 |