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cedrenone
Cedrenone is a woody-scented fragrance compound with molecular formula C15H22O, used primarily as a perfuming agent in fragrance products.
General Material Description
Cedrenone is a bicyclic oxygenated sesquiterpene characterized by the molecular formula C15H22O. It is known for its woody odor profile, often described as soft woody cedar, making it valuable in fragrance composition. Chemically, it is identified by the IUPAC name (3R,3aR,7S,8aS)-1,2,3,7,8,8a-hexahydro-3,6,8,8-tetramethyl-4H-3a,7-methanoazulen-4-one and appears as a clear to pale liquid. This compound can be referenced in authoritative chemical databases such as PubChem. Cedrenone is typically sourced via synthetic routes to ensure purity and consistency for industrial applications. Its distinctive woody scent and stability under various conditions support its use as a key ingredient in perfuming agents.
Occurrence, Applicability & Potential Uses
Cedrenone does not commonly occur naturally but is synthesized for its distinctive woody aroma. It finds primary application as a fragrance agent in perfumery where its cedar-like scent contributes to woody accords. This compound is recognized under the IFRA (Global) standards, which provide guidelines for its safe use concentration in fragrance concentrates, recommending up to 20% usage levels. Its physicochemical stability and odor profile make it suitable for incorporation into fine fragrances, personal care products, and household items where woody notes are desired. Cedrenone is not used as a flavoring agent according to current usage recommendations.
Physico-Chemical Properties Summary
The compound exhibits a molecular weight of approximately 218.34 g/mol and possesses a moderate lipophilicity indicated by an estimated logP around 3.9 to 3.3. Cedrenone has a high boiling point close to 308–309°C at atmospheric pressure and a notably low vapor pressure of about 0.001 mmHg at 25°C, characteristic of low volatility. It is soluble in alcohol but shows limited water solubility with an estimated value around 3.5 mg/L at 25°C. Its flash point measured by TCC is 278°F (approximately 137°C), indicating a relatively high ignition temperature. These properties influence its evaporation rate, blending behavior, and stability within fragrance formulations, supporting sustained woody aroma release.
FAQ
What is Cedrenone and what are its main characteristics?
Cedrenone is a synthetic bicyclic sesquiterpene ketone recognized for its woody, soft cedar odor. It has the molecular formula C15H22O and is used predominantly as a fragrance compound. Its physical state is typically a clear, pale liquid with a high boiling point near 308–309°C and low volatility. Cedrenone contributes a distinctive woody note in perfume and cosmetic products.
Where is Cedrenone used and how is it applied in the fragrance industry?
Cedrenone is primarily utilized as a perfuming agent within fragrances, personal care products, and household items. Its stable, woody odor adds depth and warmth to scent blends. The compound is compatible with alcohol-based formulations due to its solubility and is incorporated at concentrations recommended by the IFRA (Global) standards, generally up to 20% in fragrance concentrates. It is not used as a flavor additive.
What regulations apply to Cedrenone and how is its safety assessed?
Cedrenone is regulated under IFRA (Global) guidelines, which specify usage limits to ensure consumer safety. According to OSHA Hazard Communication Standards, no specific hazard classifications are assigned to this substance, and available data do not indicate acute toxicity by oral, dermal, or inhalation routes. Safety assessments have been conducted by the Research Institute for Fragrance Materials (RIFM) confirming its suitability for use in fragrance applications. Regulatory information is also available through agencies such as ECHA under REACH (EU).
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
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| 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 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
General Material Information
| Preferred name | cedrenone |
| Trivial Name | (3R,3aR,7S,8aS)-1,2,3,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-4H-3a,7-methanoazulen-4-one |
| Short Description | (3R-(3alpha,3a,7,8aalpha))-1,2,3,7,8,8a-hexahydro-3,6,8,8-tetramethyl-4H-3a,7-methanoazulen-4-one |
| Formula | C15 H22 O |
| CAS Number | 30960-39-5 |
| Deleted CAS Number | 146714-03-6 |
| ECHA Number | 250-405-3 |
| FDA UNII | T3DLB0924K |
| xLogP3-AA | 3.30 (est) |
| NMR Predictor | External link |
| Synonyms |
|
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 218.33953857422 |
| Boiling Point | 308 to 309°C @ 760 mm Hg |
| Vapor Pressure | 0.001 mmHg @ 25 °C |
| Flash Point TCC Value | 136.4 °C TCC |
| logP (o/w) | 3.929 est |
| Solubility | |
| alcohol | Yes |
| water, 3.496 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Woody | |
| woody, cedar | |
| General comment | At 100.00 %. soft woody cedar |
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 cedrenone usage levels up to: | |||
| 20.0000 % in the fragrance concentrate. | |||
| Recommendation for cedrenone 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):30960-39-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :161683 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| Chemidplus:0030960395 |