We have found
46590
results matching your criteria.
Please wait while we search...
labdanum ethanone
Labdanum ethanone is a synthetic fragrance compound known for its medium-strength woody and labdanum scent used in perfumery.
General Material Description
Labdanum ethanone, also known by its chemical name 4'-tert-butyl-2',6'-dimethylacetophenone, is a synthetic aromatic compound primarily employed in fragrance formulations. It appears as a clear to pale yellow liquid with a molecular formula of C14H20O, possessing a molecular weight of approximately 204.3 g/mol. Its odor profile combines woody, labdanum, rose, musk, and orange blossom notes, rendering it valuable in perfuming applications. Synonyms include acetophenone, 4'-tert-butyl-2',6'-dimethyl- and orinox (PFW). Data on labdanum ethanone is indexed under standard chemical databases such as PubChem [PubChem]. It is generally derived via synthetic organic chemistry routes involving substituted acetophenones and is not naturally extracted from labdanum resin itself.
Occurrence, Applicability & Potential Uses
Labdanum ethanone is not naturally occurring but is synthetically manufactured for use in fragrance compositions. Its scent profile is reminiscent of labdanum resin, amber, musk, floral, and oriental notes, making it a versatile agent in perfumery to evoke woody and balsamic accords. Its usage is recognized and regulated under IFRA (Global) standards in perfuming agents, with recommended application levels up to 1.0% in fragrance concentrates. Because it is not used as a flavoring agent, its primary application domain remains fragrance formulation where it enhances complexity and substantivity, with a long-lasting woody aroma. Its balanced volatility and odor strength make it suitable in blends requiring strong dry woody and musk character.
Physico-Chemical Properties Summary
Labdanum ethanone is characterized by a melting point between 46 and 47°C and a boiling point around 280 to 281°C at standard atmospheric pressure. Its vapor pressure at 25°C is very low (about 0.002 mmHg), indicating low volatility which supports its substantivity in fragrance formulations. The compound is soluble in alcohol and demonstrates modest water solubility, though it does not readily dissolve in water. It exhibits an estimated logP of approximately 2.9, suggesting moderate lipophilicity which influences its skin absorption and blending with oil-based carriers. Its flash point at approximately 100°C (212°F) underlines a moderate flammability hazard, necessitating careful handling and storage in a cool, dry, well-ventilated environment away from light and heat sources. Stability is adequate for inclusion in creams, detergents, fabric softeners, and soaps when formulated properly.
FAQ
What is labdanum ethanone and what are its key characteristics?
Labdanum ethanone is a synthetic fragrance compound chemically known as 4'-tert-butyl-2',6'-dimethylacetophenone. It features a woody, labdanum-like odor combined with hints of musk, rose, and orange blossom. The compound possesses a clear to pale yellow appearance and is used mainly for its aroma in perfuming applications. It is recognized for its moderate volatility and substantivity, contributing a lasting woody character to fragrance compositions.
How is labdanum ethanone used and where is it typically applied?
Labdanum ethanone is used exclusively as a fragrance ingredient, primarily in perfuming agents. Its odor profile suits formulations emphasizing amber, woody, and oriental notes. This compound enhances fragrance complexity, providing dry woody and musk aspects. It is recommended for use up to 1.0% concentration in fragrance concentrates according to IFRA (Global) guidelines. It is not employed as a flavoring agent or in food products.
What regulatory and safety considerations apply to labdanum ethanone?
Labdanum ethanone is classified as an irritant to skin and eyes based on European regulations and should be handled using appropriate protective measures to avoid contact. It has no specific GHS hazard classification under OSHA (US). Manufacturers and formulators must observe safety data sheet guidelines, storing the substance in sealed containers away from heat and light. The IFRA (Global) standard restricts its use concentration to 1.0% in fragrance formulations. It is not approved for flavor use, aligning with safety assessments conducted by RIFM and relevant authorities.
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| ChemSpider: | View |
General Material Information
| Preferred name | labdanum ethanone |
| Trivial Name | 4′-tert-Butyl-2′,6′-dimethylacetophenone |
| Short Description | orinox (PFW) |
| Formula | C14 H20 O |
| CAS Number | 2040-10-0 |
| ECHA Number | 218-037-8 |
| FDA UNII | UN0DL0NR1U |
| Nikkaji Number | J60.318J |
| MDL | MFCD00026301 |
| xLogP3-AA | 4.00 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 204.31260681152 |
| Melting Point | 46 to 47°C @ 760 mm Hg |
| Boiling Point | 280 to 281°C @ 760 mm Hg |
| Vapor Pressure | 0.002 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 2.913 est |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| water, 4.209 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| cream | Unspecified |
| detergent | Unspecified |
| fabric softener | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Woody | |
| dry, woody, labdanum, rose, musk, orangeflower | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 504 hour(s) at 100.00 % |
| General comment | At 10.00 % in dipropylene glycol. strong dry woody labdanum rose musk orangeflower |
Potential Uses
| Applications | |
| Odor purposes | Amber , Animal , Balsam , Floral , Herbal , Labdanum , Musk , Orange blossom , Oriental , Woody |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| 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 labdanum ethanone usage levels up to: | |||
| 1.0000 % in the fragrance concentrate. | |||
| Recommendation for labdanum ethanone 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):2040-10-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :74879 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 1-(4-tert-butyl-2,6-dimethylphenyl)ethanone |
| Chemidplus:0002040100 |