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cis-herbal cyclohexane
cis-herbal cyclohexane is an herbal-scented fragrance compound used primarily in perfuming agents, characterized by medium-strength green, woody, and citrus odor notes.
General Material Description
cis-herbal cyclohexane, also known by synonyms like cyclohexane, 3-ethoxy-1,1,5-trimethyl-, cis- and cis-herbavert, is a synthetic fragrance compound categorized chemically as an ethoxy-substituted cyclohexane ether with the molecular formula C11H22O. It presents a medium-strength herbal odor profile combining fresh green, woody, citrus, and natural notes as described by sensory evaluations. The compound is referenced under standard chemical identifiers including CAS number 24691-15-4 and is linked to the PubChem database as a controlled vocabulary resource. Derived through organic synthesis, typically involving cyclohexane ring modification and ether formation, cis-herbal cyclohexane is primarily employed in fragrance applications due to its distinctive aromatic characteristics.
Occurrence, Applicability & Potential Uses
cis-herbal cyclohexane does not occur naturally but is manufactured for use in fragrance formulations. Within the perfume industry, it contributes herbal and woody dimensions and is valued for enhancing natural and green scent profiles. It is regulated under the IFRA (Global) standards, which provide guidelines on acceptable concentration limits to ensure safe usage in consumer products. The compound's odor profile also makes it suitable for products designed to convey cleanliness and natural freshness, aligning with current trends in fragrance development and formulation.
Physico-Chemical Properties Summary
The physicochemical properties of cis-herbal cyclohexane influence its behaviour in formulation. It has a molecular weight of approximately 170.3 g/mol with a moderate lipophilicity indicated by an estimated log P of 3.955, promoting solubility in alcohol solvents while showing limited solubility in water. Its specific gravity ranges from 0.828 to 0.843 at 25 °C, and a refractive index near 1.435 at 20 °C signifies its optical characteristics. A vapor pressure of 0.852 mmHg at 25 °C shows moderate volatility, suitable for controlled release in fragrance applications. The compound's flash point is approximately 93 °C (200 °F), indicating relative safety during handling. Stability towards alkali conditions further contributes to its formulation robustness.
FAQ
What is cis-herbal cyclohexane and what are its primary characteristics?
cis-herbal cyclohexane, chemically identified as cyclohexane, 3-ethoxy-1,1,5-trimethyl-, cis-, is a synthetic fragrance molecule with the molecular formula C11H22O. It is recognized for its medium-strength herbal odor profile featuring fresh green, woody, and citrus notes. This compound is mainly used as a perfuming agent in various fragrance products.
Where is cis-herbal cyclohexane typically used and how is it applied in formulations?
cis-herbal cyclohexane finds its primary application in the fragrance industry where it imparts herbal, green, and woody notes to perfumes and scented products. It is soluble in alcohols and demonstrates moderate volatility, allowing it to be effectively blended with other fragrance ingredients to achieve nuanced scent profiles. Controlled usage levels are recommended to maintain safety and product stability.
What regulatory standards and safety guidelines apply to cis-herbal cyclohexane?
cis-herbal cyclohexane is regulated under the International Fragrance Association (IFRA) Code of Practice (Global), which dictates acceptable concentration limits in fragrance blends to ensure consumer safety. According to available data, it has no classified hazards under OSHA's Hazard Communication Standard and presents an oral mouse LD50 greater than 3000 mg/kg, indicating low acute toxicity. Safety assessments permit its use up to 2.0% in fragrance concentrates, while it is not approved for flavor use.
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 |
| ChemSpider: | View |
General Material Information
| Preferred name | cis-herbal cyclohexane |
| Trivial Name | Cyclohexane, 3-ethoxy-1,1,5-trimethyl-, cis- |
| Short Description | cis-herbavert (Kao) |
| Formula | C11 H22 O |
| CAS Number | 24691-15-4 |
| ECHA Number | 246-415-2 |
| FDA UNII | Search |
| Nikkaji Number | J281.512E |
| xLogP3-AA | 3.50 (est) |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
| BOC Sciences | Kao Corporation |
| Stort Chemicals |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 170.29554748535 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.89 to 7.015 |
| Refractive Index | 1.433 to 1.437 @ 20 °C |
| Vapor Pressure | 0.852 mmHg @ 25 °C |
| Flash Point TCC Value | 93.33 °C TCC |
| logP (o/w) | 3.955 est |
| Solubility | |
| alcohol | Yes |
| water, 18.71 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| alkali | Unspecified |
Organoleptic Properties
| Odor Type: Herbal | |
| fresh, green, herbal, natural, citrus, woody | |
| Odor strength | medium |
| Substantivity | 2 hour(s) at 100.00 % |
| Luebke, William tgsc, (1987) | At 100.00 %. fresh green herbal natural citrus woody |
| Flavor Type: Green | |
| green, herbal, woody, spicy, floral, chrysanthemum | |
| Luebke, William tgsc, (1987) | Green herbal woody spicy floral chrysanthemum |
Potential Uses
| Applications | |
| Odor purposes | Citrus , Green , Herbal , Woody |
| Other purposes | Clean , 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: | |
| oral-mouse LD50 > 3000.10 mg/kg Luebke, William tgsc, (1987) | |
| 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 cis-herbal cyclohexane usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Recommendation for cis-herbal cyclohexane flavor usage levels up to: | |||
| not for flavor use. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :90586 |
| National Institute of Allergy and Infectious Diseases:Data |
| (3R,5R)-3-ethoxy-1,1,5-trimethylcyclohexane |
| Chemidplus:0024691154 |