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herbal carbonate
Herbal carbonate is a fragrance compound known for its fresh herbal scent with moderate substantivity, used primarily in perfuming applications.
General Material Description
Herbal carbonate, also known by its trivial name cyclooctyl methyl carbonate and by synonyms such as carbonic acid cyclooctyl methyl ester and jasmacyclat, is a synthetic organic compound with the molecular formula C10H18O3. It belongs to the carbonate ester chemical class and presents as a liquid at room temperature. The compound is recognized for its distinctive fresh herbal odor with waxy, jasmin, and natural nuances, classified with a medium odor strength and a substantivity of approximately 68 hours at full concentration. This fragrance ingredient is found in aroma formulations to impart herbal, jasmine, and woody tones. Herbal carbonate is documented in databases such as PubChem and is usually prepared through esterification reactions involving cyclooctanol and methyl chloroformate or similar precursors. Its characteristic scent profile and physicochemical properties support its utilization in fragrance industry applications.
Occurrence, Applicability & Potential Uses
Herbal carbonate is not naturally occurring but is synthetically produced for use mainly in fragrance applications. It is incorporated into aroma compositions to provide herbal, jasmin, woody, hyacinth, gardenia, and amber olfactory notes. These qualities make it suitable as a perfuming agent in various cosmetic and personal care products. The material’s regulatory status includes assessment under the IFRA Code of Practice (Global), which recommends usage limits for safe formulation in fragrances. It is typically used at concentrations up to 0.8% in fragrance concentrates. The compound's moderate volatility, stability as an ester, and solubility characteristics facilitate incorporation into complex fragrance matrices with desired long-lasting olfactory effects.
Physico-Chemical Properties Summary
Herbal carbonate exhibits physicochemical characteristics notable for fragrance formulation. It has a specific gravity ranging approximately from 1.035 to 1.041 at 20 °C, and its refractive index varies between 1.456 and 1.462 at the same temperature, indicating moderate density and optical clarity. The boiling point lies between 279 and 280 °C at standard atmospheric pressure, evidencing low volatility and thermal stability under typical usage conditions. Vapor pressure is low, near 0.004 mmHg at 25 °C, reinforcing its sustained release characteristics in perfumes. The compound is miscible with alcohol solvents and shows limited solubility in water, about 54 mg/L at 25 °C (estimated). Its log P value is approximately 3.1, signifying moderate lipophilicity and compatibility with hydrophobic fragrance bases. The flash point is approximately 100 °C (212 °F), indicating relative safety in handling. The material is an ester and demonstrates reasonable chemical stability in formulations.
FAQ
What is herbal carbonate and what are its primary characteristics?
Herbal carbonate is a synthetic organic compound known chemically as cyclooctyl methyl carbonate. It is a carbonate ester with the molecular formula C10H18O3, recognized for its fresh herbal, jasmin, and woody scent profile. The compound is a liquid at room temperature with moderate odor strength and notable substantivity, making it a valued ingredient in fragrance compositions.
How is herbal carbonate used and where can it be found?
This compound is primarily used as a perfuming agent in the fragrance industry. It imparts herbal, jasmine, amber, woody, gardenia, and hyacinth notes to perfumes and personal care products. Herbal carbonate is synthetically produced and incorporated into formulations at concentrations typically up to 0.8% in fragrance concentrates, according to IFRA (Global) recommendations.
What regulations or safety considerations apply to herbal carbonate?
Herbal carbonate has been evaluated under global standards such as IFRA (International Fragrance Association) and is subject to restrictions on maximum usage levels to ensure safety in consumer products. Toxicological data indicate low acute toxicity, with no hazards classified under OSHA HCS (29 CFR 1910). The material is not assigned significant hazard pictograms or precautionary statements. Regulatory databases such as ECHA’s REACH (EU) and U.S. EPA list it with respective identifiers for monitoring and compliance.
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 | herbal carbonate |
| Trivial Name | Cyclooctyl methyl carbonate |
| Short Description | jasmacyclat |
| Formula | C10 H18 O3 |
| CAS Number | 61699-38-5 |
| ECHA Number | 262-912-7 |
| FDA UNII | Search |
| Nikkaji Number | J279.695C |
| Beilstein Number | 2254088 |
| xLogP3-AA | 3.40 (est) |
| NMR Predictor | External link |
| Synonyms |
|
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 186.25105285645 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.622 to 8.672 |
| Refractive Index | 1.456 to 1.462 @ 20 °C |
| Boiling Point | 279 to 280°C @ 760 mm Hg |
| Vapor Pressure | 0.004 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 3.097 est |
| Solubility | |
| alcohol | Yes |
| water, 54.16 mg/L @ 25 °C (est) | Yes |
| Stability | |
| ester stability | Unspecified |
Organoleptic Properties
| Odor Type: Herbal | |
| fresh, herbal, natural, oily, jasmin, waxy | |
| Odor strength | medium |
| Substantivity | 68 hour(s) at 100.00 % |
| Luebke, William tgsc, (1984) | At 100.00 %. fresh herbal natural oily jasmin waxy |
Potential Uses
| Applications | |
| Odor purposes | Amber , Gardenia , Herbal , Hyacinth , Jasmin , Woody |
| 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 2470 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 83S, 1992. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| inhalation-rat LC50 > 1000 ppm Food and Chemical Toxicology. Vol. 30, Pg. 83S, 1992. | |
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 herbal carbonate usage levels up to: | |||
| 0.8000 % in the fragrance concentrate. | |||
| Recommendation for herbal carbonate 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):61699-38-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :109116 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| cyclooctyl methyl carbonate |
| Chemidplus:0061699385 |