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| Other Sizes |
| Targets |
Hexyl acrylate does not have a specific biological target, as it is primarily an industrial chemical used as a monomer for polymerization reactions. The compound contains an acrylate functional group that is reactive towards free radical polymerization. It is used in the production of polymers and copolymers for applications such as coatings, adhesives, sealants, and plastics. The compound is not intended for therapeutic use and does not target specific biological receptors or enzymes.
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| ln Vitro |
Hexyl acrylate is primarily used as a monomer for polymerization rather than for its biological activity. The compound undergoes free radical polymerization to form poly(hexyl acrylate), which has applications as a pressure-sensitive adhesive, coating, and sealant. The compound's reactivity is due to the presence of the acrylate double bond, which can undergo addition polymerization. Hexyl acrylate is also used as a comonomer in the production of various copolymers. The compound is not known to have significant biological activity and is not used as a therapeutic agent.
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| ln Vivo |
In vivo activity data for hexyl acrylate are not applicable, as the compound is not used as a therapeutic agent. It is an industrial chemical used as a monomer for polymerization reactions. The compound may be studied in toxicological assessments to evaluate its safety profile for occupational exposure and environmental impact. However, specific in vivo efficacy studies are not documented. The compound is not intended for human consumption and is used exclusively for industrial and research applications.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for hexyl acrylate are not applicable, as the compound is not designed to target specific enzymes or receptors. The compound is primarily used as a monomer for polymerization reactions. Its reactivity is based on the acrylate double bond, which can participate in addition reactions. Standard characterization methods for hexyl acrylate include gas chromatography (GC), high-performance liquid chromatography (HPLC), and nuclear magnetic resonance (NMR) spectroscopy. The compound is typically analyzed for purity and stability.
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| Cell Assay |
In vitro cellular assays for hexyl acrylate are not typical, as the compound is not used as a therapeutic agent. The compound may be used in cell biology research for studying the effects of acrylates on cellular systems or for polymer synthesis applications. However, specific cellular assays for hexyl acrylate are not well-documented. The compound's reactivity with nucleophilic groups in biological molecules could potentially lead to cytotoxicity at high concentrations. Standard safety protocols should be followed when handling the compound.
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| Animal Protocol |
In vivo animal studies for hexyl acrylate are not applicable for therapeutic purposes, as the compound is not used as a drug. The compound may be studied in toxicological assessments to evaluate its safety profile for occupational exposure and environmental impact. Standard toxicity testing might include acute oral toxicity studies in rodents, dermal irritation studies, inhalation toxicity studies, and aquatic toxicity assessments. The compound is not intended for human consumption.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of hexyl acrylate are not applicable for therapeutic purposes, as the compound is not used as a drug. The compound has a molecular weight of 156.22 g/mol and formula C9H16O2. It appears as a clear colorless liquid with a density of 0.888 g/mL at 25°C. It has a boiling point of 88-90°C at 24 mm Hg and melting point of -45°C. The compound is typically stabilized with 100 ppm hydroquinone as an inhibitor to prevent premature polymerization.
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| Toxicity/Toxicokinetics |
Hexyl acrylate is an irritant to the skin, eyes, and respiratory tract. The compound may cause skin and eye irritation upon contact. Inhalation of vapors may cause respiratory tract irritation. Appropriate personal protective equipment should be used when handling the compound. The compound is not approved for human therapeutic use and is intended for industrial and research applications only. Standard toxicity assessments would include acute toxicity, skin irritation, eye irritation, and respiratory sensitization studies. The compound's reactivity as an acrylate may contribute to its irritant properties.
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| References | |
| Additional Infomation |
Hexyl acrylate (CAS 2499-95-8) is an organic compound belonging to the acrylate ester family. It has a molecular weight of 156.22 g/mol and formula C9H16O2. The compound appears as a clear colorless liquid with a melting point of -45°C, boiling point of 88-90°C at 24 mm Hg, and density of 0.888 g/mL at 25°C. It is used as a monomer in the production of polymers and copolymers for applications such as coatings, adhesives, sealants, and plastics. The compound is typically stabilized with hydroquinone to prevent polymerization. It is not intended for therapeutic use.
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| Molecular Formula |
C9H16O2
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|---|---|
| Molecular Weight |
156.2221
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| Exact Mass |
156.115
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| CAS # |
2499-95-8
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| Related CAS # |
27103-47-5
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| PubChem CID |
17259
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| Appearance |
Colorless to light yellow liquid（Density：0.888 g/cm3）
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| Density |
0.9±0.1 g/cm3
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| Boiling Point |
191.6±9.0 °C at 760 mmHg
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| Melting Point |
-45°C
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| Flash Point |
58.3±12.0 °C
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| Vapour Pressure |
0.5±0.4 mmHg at 25°C
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| Index of Refraction |
1.429
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| LogP |
3.45
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
11
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| Complexity |
119
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C(C([H])=C([H])[H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
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| InChi Key |
LNMQRPPRQDGUDR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h4H,2-3,5-8H2,1H3
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| Chemical Name |
hexyl prop-2-enoate
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.4012 mL | 32.0061 mL | 64.0123 mL | |
| 5 mM | 1.2802 mL | 6.4012 mL | 12.8025 mL | |
| 10 mM | 0.6401 mL | 3.2006 mL | 6.4012 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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