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phenyl acetaldehyde digeranyl acetal
Phenyl acetaldehyde digeranyl acetal is a synthetic fragrant compound valued for its floral and green rose aromas in fragrance formulations.
General Material Description
Phenyl acetaldehyde digeranyl acetal is a synthetic chemical compound known for its application in the fragrance industry. It is characterized by a molecular formula of C28H42O2 and appears as a liquid with a floral and green rose-like odor profile. Also referred to as [2,2-Bis[(3,7-dimethyl-2,6-octadien-1-yl)oxy]ethyl]benzene and rosetal A (IFF), this compound has multiple synonyms used in commercial and scientific contexts. It is sourced through chemical synthesis involving phenyl acetaldehyde derivatives and geranyl alcohol components. The compound is indexed in authoritative databases such as PubChem, where further details about its structure and chemical identifiers are available. Its notable odor characteristics make it highly useful in formulating perfumes and other scented consumer products.
Occurrence, Applicability & Potential Uses
Phenyl acetaldehyde digeranyl acetal is not naturally occurring but is synthesized for use mainly as a fragrance agent. It is employed extensively in perfuming products where floral, rose, and geranium notes are desired. Its applications extend to diffusion products that benefit from its persistent and sweet pea-like aroma. The compound’s usage regulations are guided by standards such as IFRA (Global), which recommend concentration limits up to 10% in fragrance concentrates to ensure safe application. Its intense floral and powdery green scent profile facilitates complex fragrance blends aimed at recreating natural flower aromas.
Physico-Chemical Properties Summary
This compound exhibits a high molecular weight of approximately 410.6 g/mol and a significant lipophilicity with a logP value estimated at 9.155, indicating high hydrophobic character. It displays a boiling point range near 497 to 498 °C at atmospheric pressure (760 mm Hg), consistent with its stability under typical perfumery processing conditions. The specific gravity at 20 °C lies between 0.944 and 0.951. Solubility tests indicate it dissolves well in alcohols but shows negligible solubility in water at ambient temperature. It also possesses a high flash point measured at 212 °F (approximately 100 °C), suggesting moderate volatility and relative handling safety under controlled conditions. The compound is stable to alkalis, with acid value not exceeding 1 KOH/g, highlighting basic chemical robustness suitable for various formulations.
FAQ
What is phenyl acetaldehyde digeranyl acetal and what are its main sensory attributes?
Phenyl acetaldehyde digeranyl acetal is a synthetic fragrance compound used primarily in perfumery. It has a molecular formula of C28H42O2 and features a distinctive floral scent. Its aroma is often described as resembling rose absolute, with green, powdery, tropical, geranium, citrus, dried fruit, ylang, and waxy notes. This combination makes it valuable for imparting complex floral profiles in fragrance products.
How is phenyl acetaldehyde digeranyl acetal typically used and in what types of products?
This compound is primarily applied as a fragrance agent in products such as perfumes, colognes, and diffusion formulations. Its floral and green rose characteristics contribute desired scents in these consumer items. It is not used as a flavor additive. In formulations, it may be incorporated up to 10% concentration in fragrance concentrates according to IFRA guidelines. Its stability and solubility in alcohol make it compatible with various perfumery bases.
What safety standards and regulatory considerations apply to phenyl acetaldehyde digeranyl acetal?
Phenyl acetaldehyde digeranyl acetal is classified as an irritant under European regulations, with hazard statements including irritation to skin and eyes and potential sensitization upon contact. Precautionary measures recommend avoiding eye contact and wearing protective clothing. The International Fragrance Association (IFRA, Global) issues concentration limits, recommending maximum use at 10% in fragrance concentrates. It is not approved for flavor use. Safety data and exposure recommendations are available through regulatory sources such as the European Chemicals Agency (ECHA) and the Research Institute for Fragrance Materials (RIFM).
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 |
General Material Information
| Preferred name | phenyl acetaldehyde digeranyl acetal |
| Trivial Name | [2,2-Bis[(3,7-dimethyl-2,6-octadien-1-yl)oxy]ethyl]benzene |
| Short Description | rosetal A (IFF) |
| Formula | C28 H42 O2 |
| CAS Number | 67634-02-0 |
| ECHA Number | 266-805-6 |
| FDA UNII | Search |
| Nikkaji Number | J60.243D |
| xLogP3-AA | 8.80 (est) |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
| Grau Aromatics | Penta International |
| SRS Aromatics | Penta International Corporation |
| SRS Aromatics Ltd |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 410.64114379883 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.864 to 7.922 |
| Boiling Point | 497 to 498°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 9.155 est |
| Solubility | |
| alcohol | Yes |
| water, 5.816e-006 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| alkalis | Unspecified |
Organoleptic Properties
| Odor Type: Floral | |
| floral, rose, green, powdery, tropical | |
| Luebke, William tgsc, (1992) | At 100.00 %. floral rose absolute green powdery tropical |
| Flavor Type: Floral | |
| floral, rose, tropical, geranium, citrus, fruit dried fruit, ylang, waxy | |
| Luebke, William tgsc, (1992) | Floral rose tropical geranium citrus dried fruit ylang waxy |
Potential Uses
| Applications | |
| Odor purposes | Floral , Geranium , Honeysuckle , Hyacinth , Rose , Rose white rose , Sweet pea |
| Other purposes | Diffusion |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. R 41 - Risk of serious damage to eyes. R 43 - May cause sensitisation by skin contact. S 02 - Keep out of the reach of children. S 25 - Avoid contact with eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| 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 phenyl acetaldehyde digeranyl acetal usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Recommendation for phenyl acetaldehyde digeranyl 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):67634-02-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5357156 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| [2,2-bis[(3,7-dimethyl-2,6-octadienyl)oxy]ethyl]benzene |
| Chemidplus:0067634020 |