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cis-green acetate
cis-green acetate is a fragrance compound known as cis-2-tert-butylcyclohexyl acetate with fruity, woody odor properties used in perfumery.
General Material Description
Cis-green acetate, chemically identified as cis-2-tert-butylcyclohexyl acetate, is an organic ester compound with the molecular formula C12H22O2. This compound appears as a colorless liquid and features a distinctive fruity odor characterized by notes reminiscent of bergamot, lime, woody, camphoraceous, fir needle, and spicy marjoram. Known under multiple synonyms including Agrumex and cis-2-tert-butylcyclohexyl acetate, it is primarily produced for use in fragrance formulations. The compound is detailed in authoritative chemical databases such as PubChem. It is typically derived by the esterification of cis-2-tert-butylcyclohexanol with acetic acid or related acyl agents, making it relevant in the flavor and fragrance industry.
Occurrence, Applicability & Potential Uses
Cis-green acetate does not commonly occur naturally but is synthetically prepared for use in fragrance applications due to its distinctive fruity and woody aroma profile. It serves as a valuable component in perfuming agents, enhancing the complexity and appeal of various fragrance compositions. The compound's use aligns with IFRA (Global) standards, which regulate fragrance ingredients to ensure safety within consumer products. Although it is approved for fragrance use, current guidelines specify that cis-green acetate is not intended for flavor or food additive applications. Its physicochemical profile supports its versatility for incorporation in complex scent blends across cosmetic and personal care formulations.
Physico-Chemical Properties Summary
Cis-green acetate presents as a moderately volatile ester with a molecular weight of approximately 198.3 g/mol. Its log P value, estimated at about 4.06, indicates significant lipophilicity, favoring solubility in organic solvents such as alcohol, while its aqueous solubility remains low, approximately 7.5 mg/L at 25 °C. The compound's vapor pressure at 25 °C is measured at 0.103 mmHg, reflecting moderate volatility suitable for fragrance evaporation. The flash point is around 196 °F (91 °C), suggesting a relatively high ignition temperature and reduced flammability risk in typical handling. These properties influence formulation strategies, requiring compatibility considerations with solvents and other fragrance ingredients to optimize stability and scent release.
FAQ
What is cis-green acetate and what are its main characteristics?
Cis-green acetate, also known as cis-2-tert-butylcyclohexyl acetate, is a synthetic ester used primarily in the fragrance industry. It exhibits a fruity and woody odor profile with additional nuances reminiscent of bergamot, lime, and camphor. The compound is a colorless liquid with molecular formula C12H22O2. It is valued for adding complexity in perfuming agents and is characterized by moderate volatility and lipophilicity, which influence its sensory and formulation behavior.
How is cis-green acetate used and where can it be found?
Cis-green acetate is applied mainly as a perfuming agent within cosmetic and personal care products, contributing fruity and woody aroma facets. It is produced synthetically and incorporated into fragrance blends to enhance olfactory profiles. The compound is soluble in alcohol and demonstrates limited water solubility. It is not used as a flavor ingredient and is typically found in applications where fragrance ingredients are required, adhering to industry safety and usage guidelines.
What regulatory standards apply to cis-green acetate and how is it sourced?
Cis-green acetate is subject to fragrance industry standards such as those established by IFRA (Global), which provide guidelines on safe usage levels and formulation practices. It does not have specific restrictions under major hazard classification regulations like OSHA HCS (US) and poses no identified GHS hazards. Sourcing is primarily through chemical synthesis methods from related cyclohexanol derivatives. Regulatory databases including ECHA REACH (EU) and EPA TSCA (US) provide additional substance information and compliance resources.
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-green acetate |
| Trivial Name | cis-2-tert-Butylcyclohexyl acetate |
| Short Description | cis-2-tert-butylcyclohexylacetate |
| Formula | C12 H22 O2 |
| CAS Number | 20298-69-5 |
| ECHA Number | 243-718-1 |
| FDA UNII | 87JN7005XU |
| Nikkaji Number | J276.367B |
| xLogP3-AA | 3.60 (est) |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
| BOC Sciences | Lluch Essence |
| Symrise | Vigon International |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 198.30574035645 |
| Vapor Pressure | 0.103 mmHg @ 25 °C |
| Flash Point TCC Value | 90.8 °C TCC |
| logP (o/w) | 4.057 est |
| Solubility | |
| alcohol | Yes |
| water, 7.462 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Fruity | |
| fruity, bergamot, lime, woody, camphoreous, fir needle, spicy, marjoram | |
| General comment | At 100.00 %. fruity bergamot lime woody camphoreous fir needle spicy marjoram |
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 cis-green 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):20298-69-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :88480 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| [(1R,2R)-2-tert-butylcyclohexyl] acetate |
| Chemidplus:0020298695 |