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licorice diethyl acetal
Licorice diethyl acetal is a fragrance compound characterized by herbal, floral, and anise-like odors used primarily as a perfuming agent.
General Material Description
Licorice diethyl acetal, known synonymously as 5-(diethoxymethyl)-3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indene, is a synthetic chemical used primarily in fragrance applications. This compound presents as a colorless liquid with medium herbal odor qualities described as fruity, anise, basil, fennel, and hyacinth notes based on sensory analyses. Its molecular formula is C15H24O2, and it is referenced under CAS Number 67633-92-5. Licorice diethyl acetal is commercially available under trade names such as talia from International Flavors & Fragrances (IFF). It is produced by chemical synthesis and is noted for its stable odor characteristics suitable for perfuming agents. Additional structural and chemical information is accessible via public chemical databases including PubChem.
Occurrence, Applicability & Potential Uses
Licorice diethyl acetal does not occur naturally but is synthesized for use in fragrance formulations. It contributes herbal, floral, and anise-like aromatic notes, effectively replacing natural oils such as basil oil in perfumery. According to the IFRA (Global) Code of Practice, licorice diethyl acetal is approved for use up to 5% in fragrance concentrates, demonstrating its importance in cosmetic scent compositions. Its substantivity, lasting up to 168 hours at full strength, makes it valuable in long-lasting fragrances. The compound's limited water solubility and compatibility with alcohol solvents support its formulation in various aromatic product types.
Physico-Chemical Properties Summary
Licorice diethyl acetal is a colorless liquid with a molecular weight of approximately 236.35 g/mol. It has a boiling point range of 295 to 297 °C at atmospheric pressure (760 mm Hg) and exhibits low vapor pressure (0.003 mmHg) at 25 °C, indicating low volatility. Its specific gravity ranges between 0.989 and 0.998 at 20 to 25 °C. The refractive index is 1.48 to 1.49 at 20 °C, and the estimated logP value around 3.998 suggests moderate lipophilicity, affecting its solubility and distribution in formulations. The compound is soluble in alcohol but has limited solubility in water. The flash point is approximately 212 °F (100 °C), indicating safety considerations for handling. Licorice diethyl acetal is stable under typical fragrance formulation conditions and does not show significant reactivity with alkalis.
FAQ
What is licorice diethyl acetal and what are its key characteristics?
Licorice diethyl acetal is a synthetic fragrance ingredient with a molecular formula C15H24O2. It has a medium-strength herbal odor profile encompassing fruity, anise, basil, fennel, and hyacinth notes. Often marketed under names such as talia by IFF, it is primarily used in perfuming agents for its distinctive aromatic qualities and long-lasting substantivity.
How is licorice diethyl acetal typically used and where can it be found?
This compound is used mainly as a fragrance agent in cosmetic and personal care products. It functions as an anise or basil oil replacer and adds floral and herbal tones to perfumes. It is synthetically produced and formulated mainly in alcohol-based fragrance concentrates. Its physical properties, such as moderate lipophilicity and low volatility, help maintain scent longevity in various applications.
What regulations apply to licorice diethyl acetal and how is it sourced?
Licorice diethyl acetal is subject to the IFRA (International Fragrance Association; Global) Code of Practice, which restricts its use in fragrance concentrates to a maximum of 5% for safety considerations. It is not approved for flavor use. The compound is chemically synthesized and available commercially from fragrance suppliers such as IFF. Safety classifications under OSHA (US) GHS standards do not list it as hazardous, and no specific hazard or precautionary statements are required.
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: | 2911.00.5000 |
| ChemSpider: | View |
| Wikipedia: | View |
General Material Information
| Preferred name | licorice diethyl acetal |
| Trivial Name | 5-(Diethoxymethyl)-3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indene |
| Short Description | talia (IFF) |
| Formula | C15 H24 O2 |
| CAS Number | 67633-92-5 |
| ECHA Number | 266-793-2 |
| FDA UNII | Search |
| Nikkaji Number | J333.232B |
| xLogP3-AA | 3.20 (est) |
| NMR Predictor | External link |
| Synonyms |
|
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 236.35467529297 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.229 to 8.296 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.247 to 8.314 |
| Refractive Index | 1.48 to 1.49 @ 20 °C |
| Boiling Point | 295 to 297°C @ 760 mm Hg |
| Vapor Pressure | 0.003 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 3.998 est |
| Solubility | |
| alcohol | Yes |
| water, 20.29 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| alkalis | Unspecified |
Organoleptic Properties
| Odor Type: Herbal | |
| fruity, herbal, anise, basil, fennel, hyacinth | |
| Odor strength | medium |
| Substantivity | 168 hour(s) at 100.00 % |
| Luebke, William tgsc, (1988) | At 100.00 %. fruity herbal anise basil fennel hyacinth |
Potential Uses
| Applications | |
| Odor purposes | Anise , Basil oil replacer , Floral , Herbal , Hyacinth |
| 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 licorice diethyl acetal usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Recommendation for licorice diethyl acetal 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):67633-92-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :106725 |
| National Institute of Allergy and Infectious Diseases:Data |
| 9-(diethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene |
| Chemidplus:0067633925 |