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green acetate
Green acetate is a fragrance agent with a medium fruity odor, used in perfumery and solvents, known for its woody and herbal green apple notes.
General Material Description
Green acetate, also known as Verdox (IFF), is a chemical compound classified as an ester with the molecular formula C12H22O2. This colorless liquid exhibits a distinctive medium-strength fruity aroma marked by green apple, woody, and herbal notes. Identified by synonyms such as acetic acid 2-t-butylcyclohexyl ester and 1-acetoxy-2-tert-butylcyclohexane, it is widely used in fragrance and solvent applications. Its chemical structure links to the PubChem database entry (CID 62334), which provides detailed compositional and physical property information. Green acetate is typically synthesized via acetylation of 2-tert-butylcyclohexanol and is sourced through chemical manufacturing processes designed to produce high-purity fragrance ingredients. It demonstrates compatibility with alcohol and paraffin oil solvents and has an estimated shelf life of 24 months if stored appropriately in sealed containers away from heat and light.
Occurrence, Applicability & Potential Uses
Green acetate occurs primarily as a synthetic ester designed for application in fragrance compositions and solvents. It contributes to the olfactory profile of many product types, lending a fresh, fruity green apple character often described with woody and herbal undertones. It finds use in perfume formulations to evoke nuances ranging from citrusy agrumen and spicy marjoram to camphor-like coniferous notes, making it valuable in products that require a natural green freshness. The compound is recognized under the IFRA (Global) standard, which prescribes usage up to 15% concentration in fragrance concentrates to ensure safety and compliance. Its functional roles expand beyond scent influence to include solvent properties beneficial in cosmetic and industrial formulations. Green acetate is not recommended for flavor applications and displays stability in acidic and alkaline environments, broadening its applicability in various product systems.
Physico-Chemical Properties Summary
Green acetate exhibits a moderate molecular weight of approximately 198.3 g/mol and displays a specific gravity ranging from 0.937 to 0.946 at temperatures between 20 and 25 °C, indicative of a slightly denser liquid than water. Its refractive index lies within 1.45 to 1.455 at 20 °C. The compound has an estimated vapor pressure of 0.103 mmHg at 25 °C, signifying low volatility under ambient conditions. The flash point is recorded at 194 °F (approximately 90 °C), requiring consideration in storage and handling to minimize fire risk. Its logarithmic octanol-water partition coefficient (logP) is 4.23, reflecting significant lipophilicity, which influences its solubility and interaction in formulations. Green acetate is soluble in alcohol and paraffin oil, with limited water solubility estimated at 7.462 mg/L at 25 °C. It maintains chemical stability against acids and alkalis, enhancing its use in various matrices. Proper storage involves cool, dry conditions within sealed containers, protected from heat and light exposure.
FAQ
What is green acetate and what are its main characteristics?
Green acetate is a synthetic ester known chemically as acetic acid 2-tert-butylcyclohexyl ester. It is a colorless liquid with a medium-strength fruity scent, characterized by green apple, woody, and herbal notes. The compound is primarily used as a fragrance ingredient and solvent. It is identified under CAS number 88-41-5 and is notable for its moderate volatility, lipophilic nature, and stability in typical formulation conditions.
How is green acetate used and what are the recommended application parameters?
Green acetate is utilized in fragrance formulations to impart fresh, green, and fruity odor nuances, often combined with citrus, spice, and woody accords. It is compatible with both alcohol and paraffin oil solvents. According to IFRA (Global) standards, usage in fragrance concentrates is limited to 15% to ensure consumer safety. The compound is valued for its substantivity, providing sustained scent presence for approximately eight hours at full strength, and for its chemical stability in acids and alkalis, which supports a broad range of product applications.
What safety and regulatory considerations apply to green acetate?
Green acetate is classified as a combustible liquid with skin and eye irritation potential and possible respiratory irritation, warranting protective measures during handling. It is labeled as dangerous for the environment, being toxic to aquatic organisms with potential long-term adverse effects. Regulatory compliance involves adherence to safety data sheets and precautionary statements including storage in well-ventilated areas, use of personal protective equipment, and prevention of environmental release. The IFRA Code of Practice and other frameworks set guidelines for its safe use, and it is not approved for flavoring purposes. Disposal and exposure controls must follow regional chemical safety regulations.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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| Google Books | Start search |
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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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2915.39.9050 |
| ChemSpider: | View |
General Material Information
| Preferred name | green acetate |
| Trivial Name | Verdox |
| Short Description | verdox (IFF) |
| Formula | C12 H22 O2 |
| CAS Number | 88-41-5 |
| ECHA Number | 201-828-7 |
| FDA UNII | 364FV60913 |
| Nikkaji Number | J68.543G |
| MDL | MFCD00027397 |
| xLogP3-AA | 3.60 (est) |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 198.30574035645 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.797 to 7.863 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.814 to 7.881 |
| Refractive Index | 1.45 to 1.455 @ 20 °C |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.103 mmHg @ 25 °C |
| Flash Point TCC Value | 90 °C TCC |
| logP (o/w) | 4.23 |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| paraffin oil | Yes |
| water, 7.462 mg/L @ 25 °C (est) | Yes |
| Stability | |
| acid cleaner | Unspecified |
| antiperspirant | Unspecified |
| bleach | Unspecified |
| deo stick | Unspecified |
| detergent perborate | Unspecified |
| fabric softener | Unspecified |
| hard surface cleaner | Unspecified |
| liquid detergent | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
| stable to acids and alkalis | Unspecified |
Organoleptic Properties
| Odor Type: Fruity | |
| fruity, woody, apple green apple, herbal | |
| Odor strength | medium |
| Substantivity | 8 hour(s) at 100.00 % |
| Luebke, William tgsc, (1991) | At 100.00 %. fruity woody green apple herbal |
| General comment | Fresh, fruity, agrumen (bergamott, limette), woody-camphor-like (conifer), spicy (marjoram) |
Potential Uses
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| N - Dangerous for the environment. | |
| R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 36 - Wear suitable protective clothing. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Flammable liquids (Category 4), H227 Skin irritation (Category 2), H315 Eye irritation (Category 2A), H319 Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H227 - Combustible liquid H315 - Causes skin irritation H319 - Causes serious eye irritation H335 - May cause respiratory irritation | |
| Precautionary statement(s) | |
| P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P271 - Use only outdoors or in a well-ventilated area. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P312 - Call a POISON CENTER or doctor/physician if you feel unwell. P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention. P337 + P313 - IF eye irritation persists: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P370 + P378 - In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for extinction. P403 + P233 - Store in a well-ventilated place. Keep container tightly closed. P403 + P235 - Store in a well-ventilated place. Keep cool. P405 - Store locked up. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 4600 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 13S, 1992. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 13S, 1992. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| fragrance agents, solvents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for green acetate usage levels up to: | |||
| 15.0000 % in the fragrance concentrate. | |||
| Recommendation for 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):88-41-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :62334 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3082 |
| WGK Germany:1 |
| (2-tert-butylcyclohexyl) acetate |
| Chemidplus:0000088415 |