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tagette carboxylate
Tagette carboxylate is a methyl ester compound used as a fragrance agent, notable for its medium-strength herbal and woody aroma with chrysanthemum notes.
General Material Description
Tagette carboxylate, also known by the systematic name methyl 1-methyl-3-cyclohexene-1-carboxylate, is an ester compound with the molecular formula C9H14O2. It is a clear liquid featuring a distinct medium-strength herbal scent, reminiscent of marigold and chrysanthemum flowers, complemented by subtle woody and green notes. This substance, sometimes referenced under synonyms such as tachrysate, possesses sensory qualities valued in fragrance production. Classified chemically as an ester, tagette carboxylate links to the PubChem controlled vocabulary for consistent chemical identification. Typically sourced or synthesized for aromatic use, it contributes natural-like herbal facets in perfumery.
Occurrence, Applicability & Potential Uses
Tagette carboxylate occurs primarily as a synthetic ester developed to replicate the natural herbal and floral notes of marigold and immortelle plants. It is used widely in perfumery and fragrance formulations as an aromatic agent to evoke herbal, green, and woody odor profiles. According to IFRA (Global) standards, its use is accepted up to 5% in fragrance concentrates, ensuring olfactory impact while maintaining safety compliance. Beyond fragrance, its flavoring use is limited or not recommended. The compound’s natural-like herbal aroma makes it suitable for diverse product categories requiring fresh, green, or floral notes. Its inclusion in formulations supports complexity and freshness in scent profiles.
Physico-Chemical Properties Summary
Tagette carboxylate's physical and chemical properties influence its performance and handling in fragrance systems. It features a molecular weight of approximately 154.21 g/mol and a moderate log P value near 3.24, indicating balanced lipophilicity suitable for blending in oils and alcohol-based carriers. The compound exhibits a vapor pressure of 0.778 mmHg at 25°C, suggesting moderate volatility, which affects its scent release and longevity. Its flash point is approximately 62.8°C (145°F), a critical safety parameter for storage and formulation. Specific gravity is near 0.997 at 20°C, close to water’s density, facilitating predictable mixing behavior. While sparingly soluble in water (about 251.7 mg/L at 25°C), tagette carboxylate dissolves readily in alcohol solvents. Such characteristics make it versatile for use in perfuming agents where stable aroma retention and moderate substantiation are desired.
FAQ
What is tagette carboxylate and what are its key characteristics?
Tagette carboxylate, chemically known as methyl 1-methyl-3-cyclohexene-1-carboxylate, is an ester compound employed primarily for its aromatic properties. It emits a medium-strength herbal scent with woody and green floral notes reminiscent of marigold and chrysanthemum. Classified as a fragrance agent, it is notable for its moderate volatility and solubility in alcohol, supporting its use in perfumery. The compound has a molecular formula C9H14O2 and is also referred to by synonyms such as tachrysate.
How is tagette carboxylate used and where does it typically appear?
Tagette carboxylate is commonly applied in fragrance formulations to impart herbal, green, and woody notes that enhance floral compositions. It is rarely found naturally but produced synthetically for consistency and supply. Its primary use lies in perfuming agents where its aromatic profile complements scents inspired by marigold and immortelle. Due to its chemical properties, it integrates well into alcohol-based perfumes and other cosmetic products requiring natural-like herbal tones.
What safety and regulatory information applies to tagette carboxylate?
Based on current evaluations, tagette carboxylate is not classified with significant hazards under OSHA’s Hazard Communication Standard (29 CFR 1910). The International Fragrance Association (IFRA) recommends usage limits up to 5% in fragrance concentrates to maintain consumer safety. Toxicological data are limited or undetermined for oral, dermal, or inhalation exposure. It is not approved for flavor use. Suppliers often provide detailed safety assessments and documentation compliant with REACH (EU) and other regional regulations, ensuring controlled and compliant use in products.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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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 |
| ChemSpider: | View |
General Material Information
| Preferred name | tagette carboxylate |
| Trivial Name | Methyl 1-methyl-3-cyclohexene-1-carboxylate |
| Short Description | tachrysate |
| Formula | C9 H14 O2 |
| CAS Number | 6493-80-7 |
| ECHA Number | 229-377-1 |
| FDA UNII | YC008TZS68 |
| Nikkaji Number | J225.152C |
| xLogP3-AA | 2.00 (est) |
| NMR Predictor | External link |
| Synonyms |
|
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 154.208984375 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | |
| Vapor Pressure | 0.778 mmHg @ 25 °C |
| Flash Point TCC Value | 62.78 °C TCC |
| logP (o/w) | 3.242 est |
| Solubility | |
| alcohol | Yes |
| water, 251.7 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Herbal | |
| tagette, chrysanthemum, thujonic, natural, sweet, herbal | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1986) | At 10.00 % in dipropylene glycol. tagette chrysanthemum thujone natural sweet herbal |
Potential Uses
| Applications | |
| Odor purposes | Cedar , Chrysanthemum , Green , Herbal , Immortelle , Marigold , Woody |
| Flavoring purposes | Immortelle , Marigold |
| Other purposes | Natural |
| Cosmetic purposes | Perfuming agents |
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 tagette carboxylate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Recommendation for tagette carboxylate 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):6493-80-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :110867 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| methyl 1-methylcyclohex-3-ene-1-carboxylate |
| Chemidplus:0006493807 |