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herbal undecanone
Herbal undecanone is a fragrance compound with herbal, woody, and fruity notes used primarily in perfuming agents.
General Material Description
Herbal undecanone, chemically recognized as octahydro-7-methyl-1,4-methanonaphthalen-6(2H)-one, is a bicyclic ketone characterized by the molecular formula C12H18O (PubChem CID 162481). It appears as a colorless to pale liquid exhibiting a medium-strength herbal odor enriched with woody, fruity, absinthe-like, pine, juniper berry, cedar, and raspberry nuances. This compound is also known under several synonyms including plicatone, 7-methyl octahydro-1,4-methanonaphthalen-6-one, and 1,4-methanonaphthalen-6(2H)-one, octahydro-7-methyl-. Typically, herbal undecanone is derived synthetically for use as a fragrance raw material, valued for its complex aromatic profile and substantivity in perfumery.
Occurrence, Applicability & Potential Uses
Herbal undecanone does not naturally occur in significant quantities and is primarily synthetic for fragrance applications. It contributes valuable herbal and woody facets to perfume compositions, blending effectively with fougère, lavender, pine, and spicy notes. It aids in enhancing freshness when combined with mossy ingredients and supports woody accords by imparting lift and complexity. Its uses span a variety of fragrance types, including amber, oriental, cedar, juniper, fern, and herbal themes. Regulated under the IFRA (Global) standards, herbal undecanone is recommended for use at up to 1.0% concentration in fragrance formulations. It serves as a wormwood oil replacer due to its similar absinthe-like odor profile.
Physico-Chemical Properties Summary
Herbal undecanone features a molecular weight of 178.27 g/mol and the molecular formula C12H18O. It boils sharply between 271 and 272°C at atmospheric pressure, indicating low volatility relative to lighter fragrance components. Its estimated logP of 3.08 suggests moderate lipophilicity, promoting solubility in alcohol-based formulations though minimal water solubility is present (approximately 450 mg/L at 25°C). The flash point is approximately 100°C (212°F), supporting safe handling within typical perfumery conditions. Vapor pressure at room temperature is low (0.007 mmHg at 25°C), contributing to sustained fragrance release and substantivity. Stability profiles demonstrate compatibility with various product types such as fine fragrances, shampoos, and soaps at trace to 1% levels, without significant degradation.
FAQ
What is herbal undecanone and what are its main characteristics?
Herbal undecanone, scientifically named octahydro-7-methyl-1,4-methanonaphthalen-6(2H)-one, is a fragrance compound with a herbaceous, woody, and slightly fruity scent. It is a bicyclic ketone notable for its medium odor strength and prolonged substantivity lasting up to 48 hours when used at full concentration. Also known as plicatone among other synonyms, it impart aromas reminiscent of artemisia, pine, juniper berry, and cedar with subtle absinthe-like undertones.
How is herbal undecanone used and where is it typically found?
Herbal undecanone is predominantly synthesized for use as a fragrance ingredient in perfuming agents and cosmetic products. Its aromatic profile makes it suitable for incorporation into fougère, lavender, pine, and oriental fragrances, where it enhances herbal and woody notes alongside adding freshness. It also functions as a natural replacement for wormwood oil in formulations. Usage levels are regulated to ensure stability and compatibility across various products such as shampoos, shower gels, soaps, and fine fragrances.
What regulations govern herbal undecanone and how is it sourced safely?
The International Fragrance Association (IFRA) regulates herbal undecanone globally, recommending usage limits up to 1.0% in fragrance concentrates to maintain safety and product integrity. It is not authorized for flavor use. Safety assessments reveal no classified hazards under OSHA's Hazard Communication Standard or GHS, and toxicity data are not fully determined but indicate low concern at typical usage concentrations. The compound is sourced synthetically, ensuring consistent purity and availability for industrial fragrance applications.
What is herbal undecanone and what are its main uses?
Herbal undecanone is a bicyclic ketone fragrance ingredient known chemically as octahydro-7-methyl-1,4-methanonaphthalen-6(2H)-one. It imparts a medium-strength herbal odor with woody, fruity, and absinthe-like qualities. Its primary use is as a perfuming agent in fragrance formulations, especially those containing lavender, pine, cedar, and spicy notes. It is valued for adding natural freshness and complexity to aromatic blends.
How is herbal undecanone applied in fragrance products, and where does it occur naturally or synthetically?
Herbal undecanone is predominantly synthesized for use in perfumery and acts as a substitute for certain natural materials such as wormwood oil, providing similar herbal and woody odor nuances. It is incorporated into various fragrance types including fougère, oriental, and woody compositions. In products, its usage enhances herbal, pine, juniper, and cedar accords. While not known to occur widely in nature, its synthetic version enables consistent quality and supply for commercial fragrance applications.
What safety regulations apply to herbal undecanone, and how is its usage controlled?
Herbal undecanone currently shows no classification under OSHA’s Hazard Communication Standard (29 CFR 1910) and has no known hazard or precautionary statements. The International Fragrance Association (IFRA) Code of Practice (Global) recommends limiting its concentration to a maximum of 1.0% in fragrance concentrates. The compound is not authorized for flavor use and is primarily applied in perfumery. Safety assessments by RIFM support its controlled use within these parameters, ensuring formulation safety in cosmetic products.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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Literature & References
| octahydro-7-methyl-1,4-methanonaphthalen-6(2H)-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 41724-19-0 |
| Pubchem (cid): | 162481 |
| Pubchem (sid): | 135117199 |
| Publications by US Patents | |
| 4,003,935 - 7-Methyl-octahydro-1,4-methano-naphthalen-6-one | |
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 | herbal undecanone |
| Trivial Name | Octahydro-7-methyl-1,4-methanonaphthalen-6(2H)-one |
| Short Description | octahydro-7-methyl-1,4-methanonaphthalen-6(2H)-one |
| Formula | C12 H18 O |
| CAS Number | 41724-19-0 |
| ECHA Number | 255-517-6 |
| FDA UNII | Search |
| Nikkaji Number | J278.256A |
| xLogP3-AA | 2.80 (est) |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 178.27465820312 |
| Boiling Point | 271 to 272°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.007 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 3.08 est |
| Solubility | |
| alcohol | Yes |
| water, 450.4 mg/L @ 25 °C (est) | Yes |
| Stability | |
| APC: traces - 1% | Unspecified |
| candle: traces - 1% | Unspecified |
| detergent: traces - 1% | Unspecified |
| fine fragrances: traces - 0.5% | Unspecified |
| shampoo: traces - 1% | Unspecified |
| shower gel: traces - 1% | Unspecified |
| soap: traces - 1% | Unspecified |
| softener: traces - 1% | Unspecified |
Organoleptic Properties
| Odor Type: Herbal | |
| natural, herbal, woody, fruity, absinthe, pine, juniper, cedar, raspberry | |
| Odor strength | medium |
| Substantivity | 48 hour(s) at 100.00 % |
| General comment | At 100.00 %. natural herbal woody fruity absinthe pine juniperberry cedar raspberry |
| Combines with interesting effects in fougere, lavender, pine and spicy notes. With woody notes it helps to lift the perfume and with mossy materials it gives a natural freshness. | Natural smooth herbal, aromatic, woody and fruity note. PLICATONE recalls artemisia, pine, juniper berry and cedar with an appealing, slightly fruity undertone |
| General comment | |
| Odor Type: Absinthe | |
Potential Uses
| Applications | |
| Odor purposes | Amber , Cedar , Fern , Herbal , Juniper , Lavender , Oriental , Pine , Spice , Woody , Wormwood oil replacer |
| 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 herbal undecanone usage levels up to: | |||
| 1.0000 % in the fragrance concentrate. | |||
| Recommendation for herbal undecanone 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):41724-19-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :162481 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| octahydro-7-methyl-1,4-methanonaphthalen-6(2H)-one |
| Chemidplus:0041724190 |