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(Z)-3-hepten-1-yl acetate
(Z)-3-Hepten-1-yl acetate is a medium-strength green, fruity acetate ester used primarily as a flavor and fragrance agent with banana and green notes.
General Material Description
(Z)-3-Hepten-1-yl acetate is an organic ester characterized by the molecular formula C9H16O2. It exhibits a clear liquid appearance with a distinctive medium-strength green odor often associated with tropical banana, passion fruit, and fresh vegetation. Also known by synonyms such as cis-3-heptenyl acetate and ((Z)-hept-3-enyl) acetate, this compound is listed in chemical databases including PubChem. This acetate derivative is typically sourced through synthetic organic methods, designed for use in flavor and fragrance formulations to impart fresh, fruity, and green notes. Its sensory properties simplify its integration into various perfuming and flavoring systems.
Occurrence, Applicability & Potential Uses
(Z)-3-Hepten-1-yl acetate occurs naturally in several plant matrices contributing to their scent profiles and is used widely in food flavoring and perfumery. Its distinctive green and fruity odor elements make it a valuable ingredient in replicating banana, floral, herbal, and tropical fruit notes. The compound’s inclusion in perfuming agents aligns with regulatory standards such as IFRA (Global), which recommends maximum usage concentrations up to 5% in fragrance concentrates. Additionally, its categorization by FEMA (US) as a flavor and fragrance agent supports its broad applicability in sensory modification and enhancement across consumer products.
Physico-Chemical Properties Summary
(Z)-3-Hepten-1-yl acetate has a boiling range of approximately 196 to 197°C at standard atmospheric pressure and a moderate vapor pressure of 0.404 mmHg at 25°C, indicating moderate volatility suitable for fragrance applications. Its estimated logP value of 2.909 reflects lipophilicity conducive to solubility in organic solvents such as alcohols, while demonstrating limited water solubility at around 158.9 mg/L at 25°C. The compound’s flash point is approximately 71°C (160°F), requiring standard precautions during handling. These physical and chemical properties influence its behavior in formulations, impacting volatility, diffusion, and persistence in sensory applications.
FAQ
What is (Z)-3-Hepten-1-yl acetate and what are its primary sensory characteristics?
(Z)-3-Hepten-1-yl acetate is an organic ester known for its green, fruity odor featuring notes reminiscent of banana and fresh vegetation. It is commonly used as a flavor and fragrance agent to impart these sensory qualities. The compound is identified by several synonyms such as cis-3-heptenyl acetate and (3Z)-hept-3-enyl acetate, and appears as a clear liquid with moderate volatilization.
Where is (Z)-3-Hepten-1-yl acetate typically sourced from and how is it used?
(Z)-3-Hepten-1-yl acetate is primarily synthesized for industrial use but also occurs naturally in some plant materials contributing to their aroma. It is widely applied in flavoring foods and creating fragrance products that require green, fruity, or tropical scent notes. Its physicochemical properties facilitate blending in alcohol-based formulations, and it is employed in various consumer goods including perfumes and flavor additives.
What regulations and safety considerations apply to (Z)-3-Hepten-1-yl acetate?
This compound is subject to regulatory guidelines such as IFRA (Global), which recommends a maximum usage level of 5% in fragrance concentrates to ensure safe consumer exposure. Safety data indicate no significant hazards under normal use conditions, but standard precautions suggest avoiding skin and eye contact. It has been assessed with no major hazard classifications under OSHA HCS (US), and its safety profile supports its usage under controlled conditions.
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: | 2915.39.9500 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
General Material Information
| Preferred name | (Z)-3-hepten-1-yl acetate |
| Trivial Name | (Z)-3-Hepten-1-yl acetate |
| Short Description | cis-3-heptenyl acetate |
| Formula | C9 H16 O2 |
| CAS Number | 1576-78-9 |
| ECHA Number | 216-412-0 |
| FDA UNII | Search |
| Nikkaji Number | J206.816H |
| xLogP3-AA | 2.40 (est) |
| NMR Predictor | External link |
| Synonyms |
|
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 156.22491455078 |
| Boiling Point | 196 to 197°C @ 760 mm Hg |
| Vapor Pressure | 0.404 mmHg @ 25 °C |
| Vapor Density | 1 |
| Flash Point TCC Value | 71.11 °C TCC |
| logP (o/w) | 2.909 est |
| Solubility | |
| alcohol | Yes |
| water, 158.9 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Green | |
| green, tropical, banana, vegetable, fatty, passion fruit | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 2 hour(s) at 100.00 % |
| Luebke, William tgsc, (2009) | At 10.00 % in dipropylene glycol. green tropical banana vegetable fatty passion fruit |
| Flavor Type: Green | |
| green, creamy, banana peel, nasturtium, bean green bean, vegetable, grassy, rooty | |
| Luebke, William tgsc, (2009) | Green creamy banana peel nasturtium green bean vegetable grassy rooty |
Potential Uses
| Applications | |
| Odor purposes | Banana , Fern , Floral , Fruit , Green , Herbal , Hyacinth , Hydrangea , Lilac , Magnolia |
| Other purposes | Natural |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
| S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
| 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: | |||
| flavor and 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 (Z)-3-hepten-1-yl acetate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):1576-78-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5363206 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| [(Z)-hept-3-enyl] acetate |
| Chemidplus:0001576789 |