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thyme undecane
Thyme undecane is a fragrance ingredient with a high-strength herbal odor used mainly for its aromatic and leather-like odor characteristics.
General Material Description
Thyme undecane, known chemically as 3,3-dimethyl-1,5-dioxaspiro[5.5]undecane, is a synthetic fragrance compound notable for its herbal odor characteristics. The molecule has the molecular formula C11H20O2, representing its structure as a spiroacetal derived from cyclohexanone and dimethylpropylene glycol. Synonyms include thymoxane and cyclohexanone 2,2-dimethylpropylene acetal. This compound is typically a clear, colorless liquid used primarily in perfuming agents due to its fresh thyme-like herbal scent accompanied by leather and sweet undertones. It can be referenced in the PubChem database under CID 69721 for detailed chemical data. Thyme undecane is synthesized for flavor and fragrance applications as a replacement for natural white thyme oil, offering reliable odor properties with extended substantivity.
Occurrence, Applicability & Potential Uses
Thyme undecane does not occur naturally but is manufactured for use in fragrance compositions. It is valued for its high-strength herbal odor that combines fresh, aldehydic, citrus, and leather facets, mimicking aspects of natural thyme oil. In perfumery, it serves as a potent aroma chemical and flavor lifting agent, enhancing herbal and green profiles with lasting substantivity up to 16 hours at full concentration. It finds applications as a white thyme oil replacer and in formulations requiring fresh and clean notes with patchouli and sage nuances. Regulatory guidelines such as those provided by IFRA (Global) advise usage limits up to 5% in fragrance concentrates to maintain safety and product stability.
Physico-Chemical Properties Summary
Thyme undecane is a colorless liquid with a boiling point between 213 and 214°C at atmospheric pressure. Its specific gravity ranges narrowly from 0.981 to 0.984 at 20°C, supporting its classification as a moderately dense compound. The refractive index varies between 1.461 and 1.464 at 20°C, indicative of its optical properties. The estimated LogP value of 2.64 reflects moderate lipophilicity, influencing its solubility and partitioning behavior. Vapour pressure is low (0.228 mmHg at 25°C), resulting in slow evaporation and elevated substantivity in fragrance applications. The compound is soluble in alcohol and exhibits limited water solubility (approximately 20.5 mg/L). Its flash point is 194°F (about 90°C), indicating moderate flammability characteristics relevant for handling and storage. Stability is generally good across various cosmetic and detergent applications.
FAQ
What is thyme undecane and what are its main characteristics?
Thyme undecane is a synthetic fragrance ingredient chemically identified as 3,3-dimethyl-1,5-dioxaspiro[5.5]undecane. It is recognized for its strong herbal odor with additional leather, fresh, and sweet nuances. The compound acts as a reliable white thyme oil substitute in perfumery, providing significant odor substantivity. It appears as a clear liquid with molecular formula C11H20O2 and is used mainly in fragrance formulations to impart fresh and herbal notes.
In which products and applications is thyme undecane used, and how is it sourced?
Thyme undecane is primarily applied in perfuming agents for personal care products and fragrances where an herbal, fresh, and occasionally leather-like note is desired. It is synthetically produced through acetal formation involving cyclohexanone and dimethylpropylene glycol rather than extracted from natural sources. The compound is employed as a fragrance ingredient and a lifting agent to enhance aldehydic and citrus accords. Its use as a white thyme oil replacer reduces reliance on natural thyme extracts, supporting formulation consistency.
What safety and regulatory guidelines apply to thyme undecane?
Thyme undecane has no GHS classification under the OSHA Hazard Communication Standard (29 CFR 1910). Hazard and precautionary statements are not established, but safe handling is advised. The International Fragrance Association (IFRA, Global) recommends usage limits up to 5% in fragrance concentrates to ensure consumer safety. It is not approved for flavor use according to IFRA standards. Detailed safety assessments are available through RIFM, and chemical registries such as the ECHA database provide substance information to support compliance.
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 |
| Export Tariff Code: | 2932.99.0000 |
| ChemSpider: | View |
General Material Information
| Preferred name | thyme undecane |
| Trivial Name | 3,3-Dimethyl-1,5-dioxaspiro[5.5]undecane |
| Short Description | thymoxane |
| Formula | C11 H20 O2 |
| CAS Number | 707-29-9 |
| ECHA Number | 211-898-0 |
| FDA UNII | FR188I264H |
| Nikkaji Number | J99.453G |
| xLogP3-AA | 2.60 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
| The John D. Walsh Company | Taytonn ASCC |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 184.27879333496 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.172 to 8.197 |
| Refractive Index | 1.461 to 1.464 @ 20 °C |
| Boiling Point | 213 to 214°C @ 760 mm Hg |
| Vapor Pressure | 0.228 mmHg @ 25 °C |
| Flash Point TCC Value | 90 °C TCC |
| logP (o/w) | 2.644 est |
| Solubility | |
| alcohol | Yes |
| water, 20.47 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| antiperspirant | Unspecified |
| bleach | Unspecified |
| detergent | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Herbal | |
| fresh, thyme, herbal, leathery, tobacco, animal, sweet | |
| Odor strength | high , recommend smelling in a 10.00 % solution or less |
| Substantivity | 16 hour(s) at 100.00 % |
| Luebke, William tgsc, (1985) | At 10.00 % in dipropylene glycol. fresh thyme herbal leather tobacco animal sweet |
Potential Uses
| Applications | |
| Odor purposes | Aldehydic , Citrus , Fresh and clean , Herbal , Leather , Patchouli , Sage , Thyme oil white replacer |
| Other purposes | Lifter |
| 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 thyme undecane usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Recommendation for thyme undecane 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):707-29-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :69721 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 3,3-dimethyl-1,5-dioxaspiro[5.5]undecane |
| Chemidplus:0000707299 |