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(E,E)-pomarose
(E,E)-pomarose is a fragrance compound with a fruity odor profile, including notes of rose, dried apples, plums, raisins, rum, and caramel.
General Material Description
(E,E)-pomarose (PubChem CID: 15511119) is a synthetic fragrance compound classified chemically as a substituted octadienone with the formula C11H18O. It is a colorless liquid with a distinctive fruity odor characterized by notes of rose, dried apples, plums, raisins, rum, and caramel. The compound is also referenced by its IUPAC name (2E,5E)-5,6,7-trimethyl-2,5-octadien-4-one and related synonyms. Derived via chemical synthesis, it finds use primarily as an odorant in fragrance formulations. The molecule’s structure features conjugated double bonds and a ketone functional group influencing its sensory and physical behavior. This profile links to chemical databases such as PubChem for comprehensive data.
Occurrence, Applicability & Potential Uses
(E,E)-pomarose does not occur naturally but is synthetically produced for use in fragrance agents. Its fruity and dried fruit aroma makes it valuable for perfumery applications, imparting complex fruit and caramel-like notes. The compound’s profile supports olfactory themes such as dried fruits, rum, and floral sweetness. According to IFRA (Global) standards, the material is assessed for safe use within fragrance compositions, though it is not recommended for flavor applications. Its application is typically limited to perfumes, personal care products, and aromatic preparations where fruity nuances are desired.
Physico-Chemical Properties Summary
(E,E)-pomarose is characterized by a molecular weight of approximately 166.26 g/mol and the molecular formula C11H18O. It has a moderate estimated logP value near 2.7, indicating intermediate lipophilicity, which influences its solubility and diffusion properties in formulations. The compound exhibits a low vapor pressure (around 0.048 mmHg at 25 °C), indicating modest volatility, important for controlled fragrance release. Its estimated water solubility is approximately 54.88 mg/L at 25 °C, making it slightly soluble in aqueous systems. The flash point is about 90.6 °C (193 °F), suggesting standard handling precautions are required for safety. These properties collectively impact its formulation behavior, stability, and scent longevity.
FAQ
What is (E,E)-pomarose and what are its main sensory characteristics?
(E,E)-pomarose is a synthetic fragrance compound known chemically as (2E,5E)-5,6,7-trimethyl-2,5-octadien-4-one. It has a distinctive fruity odor profile that includes notes reminiscent of rose, dried apples, plums, raisins, rum, and caramel. This complex aroma makes it valuable in perfumery for imparting rich and layered fruit nuances.
Where is (E,E)-pomarose used and how is it incorporated in products?
(E,E)-pomarose is primarily utilized as a fragrance ingredient in perfumes and related scented products. It is synthesized for this purpose and does not occur naturally. Owing to its fruity and dried fruit scent profile, it enhances fragrance compositions by adding depth and warmth. Regulatory guidance, such as from IFRA (Global), informs its safe usage levels, although it is not approved for use as a flavor additive.
What regulatory or safety information is associated with (E,E)-pomarose?
(E,E)-pomarose is assessed under fragrance industry guidelines including those by IFRA (Global). It currently shows no classification under OSHA’s Globally Harmonized System (GHS) for hazard, with no hazard or precautionary statements identified. It is not authorized for flavor use but is recognized as a fragrance agent with safety evaluations available through resources like the RIFM Fragrance Material Safety Assessment. Standard chemical registries such as the EPA and PubChem provide additional data on its identity and safety profiles.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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| 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 | (E,E)-pomarose |
| Trivial Name | (2E,5E)-5,6,7-Trimethyl-2,5-octadien-4-one |
| Short Description | 2,5-octadien-4-one, 5,6,7-trimethyl-, (2E,5E)- |
| Formula | C11 H18 O |
| CAS Number | 847144-75-6 |
| FDA UNII | Search |
| Nikkaji Number | J1.589.124F |
| xLogP3-AA | 3.40 (est) |
| NMR Predictor | External link |
| Synonyms |
|
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 166.26365661621 |
| Vapor Pressure | 0.048 mmHg @ 25 °C |
| Flash Point TCC Value | 89.4 °C TCC |
| logP (o/w) | 2.683 est |
| Solubility | |
| water, 54.88 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Fruity | |
| fruity, rose, apple dried apple, plum, raisin, fruit dried fruit, rummy, caramellic | |
| General comment | At 100.00 %. fruity rose dried apples plums raisins dried fruit rum caramel |
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 (E,E)-pomarose flavor usage levels up to: | |||
| not for flavor use. | |||
Safety references
| EPI System: View |
| EPA Substance Registry Services (TSCA):847144-75-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :15511119 |
| National Institute of Allergy and Infectious Diseases:Data |
| (2E,5E)-5,6,7-trimethylocta-2,5-dien-4-one |
| Chemidplus:0847144756 |