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1,5-undecadien-4-yl acetate
1,5-Undecadien-4-yl acetate is a chemical compound with a green odor profile primarily used for informational purposes, exhibiting a molecular formula of C13H22O2.
General Material Description
1,5-Undecadien-4-yl acetate is an organic ester compound characterized by the molecular formula C13H22O2. It is known by other synonyms such as 1-allyloct-2-enyl acetate and undeca-1,5-dien-4-yl acetate. This compound is described as having a green odor profile, reminiscent of green fatty and galbanum notes when diluted at 1.00% in dipropylene glycol. Its pale liquid form is typical of similar esters. It is documented in chemical repositories including the PubChem database. Sourced primarily for research and informational use, 1,5-undecadien-4-yl acetate is not utilized commercially in fragrance or flavor formulations, which limits its industrial applications.
Occurrence, Applicability & Potential Uses
This compound occurs as a synthetic organic ester notable for its green odor attributes, contributing sensory notes associated with apple and galbanum. Although it does not naturally occur in biological systems, esters with similar structures are widespread in plant-derived substances. The compound is used solely for informational purposes and is not applied in fragrance or flavor products. Regulatory considerations follow standards such as the REACH regulation (European Union), which monitors chemical substances for safety and environmental impact. Due to absence of commercial use, 1,5-undecadien-4-yl acetate's utility is confined to analytical studies and chemical research.
Physico-Chemical Properties Summary
1,5-Undecadien-4-yl acetate displays physicochemical properties influencing its handling and potential uses. It has a boiling point range from 271 to 272°C at atmospheric pressure (760 mm Hg), suggesting significant thermal stability. The flash point is relatively high at 194°F (approximately 90°C), denoting low flammability risk under normal conditions. Its calculated partition coefficient (log P) is estimated at 4.518, indicating notable lipophilicity and low water solubility. The vapor pressure at 25°C is 0.007 mmHg, classifying it as having low volatility. It dissolves in alcohol and sparsely in water at 2.742 mg/L, influencing formulation choices. These attributes collectively inform its non-fragrance and non-flavor specification use.
FAQ
What is 1,5-undecadien-4-yl acetate and what are its key characteristics?
1,5-Undecadien-4-yl acetate is an organic ester compound with molecular formula C13H22O2. It has a green, fatty odor resembling galbanum and apple notes in low concentration in dipropylene glycol. Known also as 1-allyloct-2-enyl acetate, it is identified by CAS number 64677-48-1. The compound appears as a pale liquid with specific thermal and solubility features but is primarily used for informational and research purposes.
Where is 1,5-undecadien-4-yl acetate used, and what are its potential applications?
1,5-Undecadien-4-yl acetate is not used commercially in fragrance or flavor formulations. It holds usage mainly for chemical information and research and is valued for its distinct green odor profile linked to apple and galbanum scents. Its physicochemical characteristics, such as moderate volatility and lipophilicity, make it a subject of interest for analytical and experimental studies rather than consumer product development.
What safety and regulatory information is available for 1,5-undecadien-4-yl acetate?
This compound lacks specific hazard classifications under OSHA standards (29 CFR 1910) and is not accompanied by identified hazard or precautionary statements. There are no established recommended usage levels for fragrance or flavor applications. Regulatory monitoring falls under frameworks such as REACH (EU), though the compound is principally used for informational purposes only. No oral, dermal, or inhalation toxicity data have been determined, indicating limited data availability rather than confirmed safety profiles.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
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| 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: | 2915.39.9050 |
| ChemSpider: | View |
General Material Information
| Preferred name | 1,5-undecadien-4-yl acetate |
| Trivial Name | 1,5-Undecadien-4-ol, 4-acetate |
| Short Description | 1-allyloct-2-enyl acetate |
| Formula | C13 H22 O2 |
| CAS Number | 64677-48-1 |
| ECHA Number | 265-008-0 |
| FDA UNII | Search |
| Nikkaji Number | J453.274K |
| NMR Predictor | External link |
| Synonyms |
|
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 210.31674194336 |
| Boiling Point | 271 to 272°C @ 760 mm Hg |
| Vapor Pressure | 0.007 mmHg @ 25 °C |
| Flash Point TCC Value | 90 °C TCC |
| logP (o/w) | 4.518 est |
| Solubility | |
| alcohol | Yes |
| water, 2.742 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Green | |
| green, fatty, galbanum | |
| General comment | At 1.00 % in dipropylene glycol. green fatty galbanum |
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: | |||
| information only not used for fragrances or flavors | |||
| Recommendation for 1,5-undecadien-4-yl acetate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 1,5-undecadien-4-yl acetate 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):64677-48-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6437911 |
| National Institute of Allergy and Infectious Diseases:Data |
| undeca-1,5-dien-4-yl acetate |
| Chemidplus:0064677481 |