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beta,2,2,3-tetramethyl-delta-methylene-3-cyclopentene-1-butanol
Beta,2,2,3-tetramethyl-delta-methylene-3-cyclopentene-1-butanol is a fragrance compound with a strong woody scent used to impart a natural sandalwood character.
General Material Description
Beta,2,2,3-tetramethyl-delta-methylene-3-cyclopentene-1-butanol, also known by its trivial name β,2,2,3-Tetramethyl-δ-methylene-3-cyclopentene-1-butanol and trade name Firsantol (Firmenich), is an organic compound primarily utilized in fragrance formulation. It is characterized by a molecular formula of C14H24O and a molecular weight of approximately 208.34 g/mol. This compound presents as a solvent-soluble liquid offering a pronounced woody odor reminiscent of natural sandalwood. The linked PubChem entry provides structured chemical data for reference. It is typically obtained through synthetic routes involving cyclopentene derivatives. Its sensory profile and chemical stability make it a valuable agent in creating woody scent notes.
Occurrence, Applicability & Potential Uses
Beta,2,2,3-tetramethyl-delta-methylene-3-cyclopentene-1-butanol occurs synthetically and does not have a natural biological source. It finds its primary use as a fragrance agent in perfumery, where it contributes a powerful and natural sandalwood-like aspect. The compound demonstrates substantial substantivity, maintaining its woody odor for extended periods. Its application spans fine fragrances and various scented consumer products where woody notes are desired. Usage recommendations and safety guidelines are governed under IFRA (Global) standards, ensuring compliance with fragrance industry regulations. This compound is not approved for flavor use.
Physico-Chemical Properties Summary
The compound exhibits a moderate molecular weight and a calculated logP of approximately 4.43, indicating considerable lipophilicity that favors solubility in organic solvents such as alcohols. Its limited aqueous solubility reflects this characteristic. The high flash point near 108 °C denotes significant stability under typical handling conditions. Formulators value its excellent stability across diverse product types including detergents, fine fragrances, and shampoos. The odorous molecule retains a very natural sandalwood note with high substantivity, making it effective even at low concentrations. These physicochemical properties influence its incorporation into fragrance blends and determination of optimal use levels.
FAQ
What is beta,2,2,3-tetramethyl-delta-methylene-3-cyclopentene-1-butanol?
Beta,2,2,3-tetramethyl-delta-methylene-3-cyclopentene-1-butanol is an organic fragrance compound notable for its strong woody scent reminiscent of sandalwood. It is known commercially as Firsantol and has the molecular formula C14H24O. This molecule is used primarily in perfumery to impart natural sandalwood notes and enhance fragrance tenacity.
How is beta,2,2,3-tetramethyl-delta-methylene-3-cyclopentene-1-butanol used and where is it applied?
The compound is used as a fragrance agent in various product types, including fine fragrances, detergents, shampoos, and softeners. It is synthetic in origin and valued for its long-lasting woody aroma that improves sandalwood notes. Its physicochemical traits support compatibility with alcohol-based solvents and ensure stability across formulations. Usage concentrations generally range from 0.1% to 5% depending on the product category.
What safety and regulatory measures apply to beta,2,2,3-tetramethyl-delta-methylene-3-cyclopentene-1-butanol?
No specific hazard classifications are assigned under OSHA regulation, and no precautionary statements exist for this compound. The IFRA (Global) code of practice provides usage limits for fragrance applications, though it is not approved for flavor use. Safety data derived from authoritative sources like RIFM and EPA databases confirms the compound’s profile as a fragrance material. Users should consult official documents for current compliance and handling information.
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 | beta,2,2,3-tetramethyl-delta-methylene-3-cyclopentene-1-butanol |
| Trivial Name | β,2,2,3-Tetramethyl-δ-methylene-3-cyclopentene-1-butanol |
| Short Description | firsantol (Firmenich) |
| Formula | C14 H24 O |
| CAS Number | 104864-90-6 |
| FDA UNII | Search |
| Nikkaji Number | J2.470.888H |
| xLogP3-AA | 3.70 (est) |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
| Azelis UK | Ernesto Ventós |
| Firmenich | Perfumery Laboratory |
| Vigon International | Ernesto Ventós S.A. |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 208.34448242188 |
| Flash Point TCC Value | 108.1 °C TCC |
| logP (o/w) | 4.43 |
| Solubility | |
| alcohol | Yes |
| water, 5.204 mg/L @ 25 °C (est) | Yes |
| Stability | |
| APC: 0.1 - 1% | Unspecified |
| candle: 0.1 - 5% | Unspecified |
| detergent: 0.1 - 5% | Unspecified |
| fine fragrances: 0.1 - 5% | Unspecified |
| shampoo: 0.1 - 1% | Unspecified |
| shower gel: 0.1 - 1% | Unspecified |
| soap: 0.1 - 1% | Unspecified |
| softener: 0.1 - 5% | Unspecified |
Organoleptic Properties
| Odor Type: Woody | |
| natural, sandalwood | |
| Odor strength | high , recommend smelling in a 10.00 % solution or less |
| Substantivity | 336 hour(s) at 100.00 % |
| General comment | At 10.00 % in dipropylene glycol. natural sandalwood |
| FIRSANTOL™ can be used in any type of fragrances to give a powerful sandalwood touch. Tenacity is improved with a very natural sandalwood aspect. | Very powerful and natural sandalwood note |
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 beta,2,2,3-tetramethyl-delta-methylene-3-cyclopentene-1-butanol 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):104864-90-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :16063533 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-1-ol |
| Chemidplus:0104864906 |