| Size | Price | |
|---|---|---|
| Other Sizes |
| ln Vitro |
In vitro, Neryl acetate is primarily used as a flavoring agent and fragrance ingredient rather than as a pharmacological agent. It is the acetate ester of nerol and is known as cis-geranyl acetate. The compound has a floral, rose-like odor with honey and raspberry-like flavor notes. Its in vitro activity is related to its sensory properties rather than specific biological effects. Neryl acetate is used in the flavor and fragrance industry for its pleasant aroma and taste. It is a naturally occurring compound found in various essential oils. The compound is generally recognized as safe for use as a flavoring agent in food products at appropriate concentrations.
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|---|---|
| ln Vivo |
In vivo, Neryl acetate is used as a flavoring agent in food products and as a fragrance ingredient. It is a naturally occurring monoterpene ester found in various essential oils. The compound is generally recognized as safe for use in food and cosmetic products at appropriate concentrations. When ingested, it is metabolized through normal ester hydrolysis pathways to nerol and acetic acid, which are further metabolized and excreted. Its pleasant floral, rose-like odor with honey and raspberry-like flavor notes makes it valuable in the flavor and fragrance industry. The compound is not used therapeutically.
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| Enzyme Assay |
In vitro enzyme/receptor binding (non-cellular) assays are not applicable to Neryl acetate, as it is primarily a flavoring agent and fragrance ingredient rather than a bioactive compound. However, the compound may be used as a reference standard in analytical chemistry for the identification and quantification of flavor compounds using GC-MS or HPLC. Its chemical properties as a monoterpene ester make it useful for studies of ester hydrolysis by esterases. Enzyme activity assays using purified esterases can measure the hydrolysis of Neryl acetate to nerol and acetic acid, with product formation monitored by chromatographic methods. These assays help characterize the compound's stability and metabolic fate.
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| Cell Assay |
In vitro cellular experiments with Neryl acetate are not typically performed for pharmacological evaluation, as the compound is primarily a flavoring agent and fragrance ingredient. However, cellular assays may be conducted to assess its cytotoxicity or effects on cellular metabolism. Cell lines such as hepatocytes or intestinal epithelial cells may be treated with varying concentrations of Neryl acetate, and cell viability is assessed using MTT or CellTiter-Glo assays. The compound's metabolism by cellular esterases may be studied by measuring the formation of nerol and acetic acid. The compound's effects on olfactory receptors or sensory signaling may also be investigated in specialized cell models. Cells are maintained at 37°C in 5% CO₂ with appropriate media supplements.
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| Animal Protocol |
In vivo animal studies with Neryl acetate are not typically performed for therapeutic development, as the compound is primarily a flavoring agent and fragrance ingredient. However, toxicological studies may be conducted to assess its safety for use in food and cosmetic products. Rodents or other animals are administered Neryl acetate via oral or dermal routes at various doses. Parameters assessed include body weight, organ weights, histopathological examination, and clinical signs of toxicity. The compound is generally recognized as safe for use as a flavoring agent. Further toxicological studies may be required for regulatory approval.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Neryl acetate are not extensively characterized. The compound has molecular formula C₁₂H₂₀O₂ and molecular weight 196.29 g/mol. It appears as a colorless to pale yellow clear liquid with a density of 0.91-0.912 g/mL at 25°C. Boiling point is approximately 210°F (flash point). Purity: 98-99%. As a monoterpene ester, it is expected to be hydrolyzed by esterases to nerol and acetic acid. Storage: follow manufacturer's guidelines.
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| Toxicity/Toxicokinetics |
Toxicological information for Neryl acetate indicates that it is generally recognized as safe for use as a flavoring agent in food products at appropriate concentrations. The compound appears as a colorless to pale yellow clear liquid with a floral, rose-like odor. Standard safety precautions for handling chemicals apply, including use of personal protective equipment (gloves, safety goggles, lab coat) and working in a well-ventilated area. The compound may cause skin, eye, or respiratory irritation at high concentrations. Purity: 98-99%.
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| References | |
| Additional Infomation |
Neroli acetate is an acetate ester formed by the condensation of the hydroxyl group of nerol with the carboxyl group of acetate. It is a volatile oil component, flavoring agent, and plant metabolite. It is an acetate, monoterpene, and olefin compound, functionally related to nerol. Neroli acetate has been reported in hops, magnolia bark, and other organisms with relevant data. Cardamom also contains neroli acetate. It is also found in citrus, kumquat, and grapefruit peel oils, ginger, cardamom, clary sage, myrtle leaves, and myrtle berries. Neroli acetate is a flavoring agent. Geraniyl acetate belongs to the fatty alcohol ester class and is an ester derivative of fatty alcohols. See also: Cold-pressed lemon oil (partial).
Neryl acetate (CAS 141-12-8) is a monoterpene ester with molecular formula C₁₂H₂₀O₂ and molecular weight 196.29 g/mol. It appears as a colorless to pale yellow clear liquid. Neryl acetate has a floral, rose-like odor with honey and raspberry-like flavor notes. The compound is used as a flavoring agent in food products and as a fragrance ingredient. It is also known as cis-geranyl acetate and nerol acetate. FEMA number: 2773. Purity: 98-99%. |
| Molecular Formula |
C12H20O2
|
|---|---|
| Molecular Weight |
196.2860
|
| Exact Mass |
196.146
|
| CAS # |
141-12-8
|
| PubChem CID |
1549025
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
0.91
|
| Boiling Point |
134ºC
|
| Melting Point |
<25 °C
|
| Flash Point |
210 °F
|
| Vapour Pressure |
9.07E-05mmHg at 25°C
|
| Index of Refraction |
1.46
|
| LogP |
3.242
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
14
|
| Complexity |
233
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C(C([H])([H])[H])=O)C([H])([H])/C(/[H])=C(/C([H])([H])[H])\C([H])([H])C([H])([H])/C(/[H])=C(\C([H])([H])[H])/C([H])([H])[H]
|
| InChi Key |
HIGQPQRQIQDZMP-FLIBITNWSA-N
|
| InChi Code |
InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-
|
| Chemical Name |
[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~509.45 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.74 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (12.74 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (12.74 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.0945 mL | 25.4725 mL | 50.9450 mL | |
| 5 mM | 1.0189 mL | 5.0945 mL | 10.1890 mL | |
| 10 mM | 0.5095 mL | 2.5473 mL | 5.0945 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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