| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| 250mg |
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| 500mg |
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| Other Sizes |
| Targets |
Isostearic acid does not have a specific molecular target but functions as a structural and functional lipid in various applications. As a branched-chain fatty acid, it interacts with biological membranes and can modulate membrane fluidity and permeability. In personal care products, it acts as an emulsifier and stabilizer, improving the texture and performance of formulations. Its branched structure provides improved oxidative stability and low-temperature performance compared to linear fatty acids. The compound's unique chemical properties make it valuable for studying the effects of fatty acid branching on membrane properties and for developing stable lipid-based formulations.
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| ln Vitro |
In vitro, isostearic acid is used in formulations for personal care and cosmetic products as an emulsifier and stabilizer. Its branched structure provides improved oxidative stability and low-temperature performance, making it suitable for products with long shelf-life requirements. The compound's ability to form stable emulsions and improve texture makes it valuable for studying formulation science and lipid interactions. Its biological activity is primarily related to its role as a fatty acid, which can be incorporated into cellular membranes and affect membrane properties. Detailed quantitative activity data for biological effects are limited, as isostearic acid is primarily used as an excipient and formulation component rather than a pharmacologically active compound.
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| ln Vivo |
In vivo, isostearic acid is used in personal care products applied topically to the skin. It acts as an emollient, emulsifier, and stabilizer, improving the texture and performance of lotions, creams, and hair care products. When applied to the skin, it is generally well-tolerated and does not cause significant irritation at typical use concentrations. The compound's branched structure provides improved stability and performance in formulations. As a fatty acid, it may be absorbed through the skin to a limited extent and incorporated into lipid metabolism pathways. However, detailed pharmacokinetic and toxicological data for topical application are limited, as the compound is primarily used as a cosmetic ingredient.
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| Enzyme Assay |
The in vitro assays for isostearic acid typically involve formulation studies and stability testing. Emulsion stability is assessed by measuring droplet size distribution using dynamic light scattering, zeta potential, and visual observation over time. Oxidative stability is assessed by measuring peroxide value or using accelerated stability studies at elevated temperatures. Skin irritation potential is assessed using in vitro skin models such as reconstructed human epidermis (RHE) or by measuring cell viability in keratinocyte or fibroblast cell cultures using MTT assays. For quality control, the compound is tested for purity, acid value, and saponification value by pharmacopoeial methods. All experiments include appropriate controls (linear fatty acids, vehicle) and are performed in triplicate.
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| Cell Assay |
For in vitro cellular assays, keratinocytes or fibroblasts are treated with isostearic acid at concentrations ranging from 1 to 100 µM for 24-72 hours. Cell viability is assessed using MTT or CellTiter-Glo assays to evaluate potential cytotoxicity. Membrane fluidity is assessed using fluorescent membrane probes such as DPH or Laurdan. Inflammatory markers (IL-1α, IL-6, TNF-α) are measured by ELISA. For formulation studies, the compound is incorporated into emulsion formulations, and stability and performance are evaluated. All experiments include appropriate controls (linear fatty acids, vehicle) and are performed in triplicate.
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| Animal Protocol |
For in vivo dermal safety studies, isostearic acid is typically tested in skin irritation and sensitization models. The compound is applied topically to the skin of rabbits or guinea pigs at concentrations typical of cosmetic formulations (typically 1-10%) for 24-48 hours. Skin irritation is assessed by visual scoring of erythema and edema. In repeat-dose studies, the compound is applied daily for 28 days, and skin condition is monitored. For absorption studies, radiolabeled isostearic acid may be applied to skin, and systemic absorption is measured by analyzing blood and urine samples. All animal procedures are conducted in accordance with institutional guidelines. However, specific in vivo protocols for isostearic acid are not well-documented in publicly available sources.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of isostearic acid have not been extensively characterized, as it is primarily used as a cosmetic ingredient and industrial chemical rather than a therapeutic agent. The compound has a molecular weight of 284.48 and is a lipophilic fatty acid. When applied topically, it is expected to have limited skin penetration and systemic absorption due to its lipophilic nature. If absorbed, it would enter fatty acid metabolism pathways, undergo β-oxidation, and be incorporated into cellular lipids. The compound is eliminated primarily via CO2 exhalation and renal excretion as metabolites. Oral bioavailability is expected to be high due to its lipophilic nature. Detailed PK data for isostearic acid are not available in publicly accessible literature.
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| Toxicity/Toxicokinetics |
Toxicity Summary
The CIR expert panel concluded that, at the current methods of use and concentrations described in the safety assessment, the following ingredient is safe when formulated as non-irritating and non-allergenic. This conclusion may be based on a quantitative risk assessment (QRA)... isostearic acid... Safe for use in cosmetics, subject to specific conditions. The toxicology of isostearic acid has been partially characterized. In topical application studies, the compound is generally well-tolerated and does not cause significant skin irritation at typical use concentrations. In acute oral toxicity studies, the compound shows low toxicity, with LD50 values typically >2,000 mg/kg in rodents. The compound is not genotoxic in standard in vitro assays. In repeat-dose studies, no significant organ toxicity or systemic effects are observed. The compound is not considered a skin sensitizer. Environmental toxicity data indicate low toxicity to aquatic organisms. Isostearic acid is approved for use in cosmetic products and is generally recognized as safe for its intended uses. |
| References | |
| Additional Infomation |
16-Methylheptadecanoic acid is a methyl branched fatty acid formed by replacing the methyl group at the 16-position of heptadecanoic acid. It is a branched-chain saturated fatty acid, a long-chain fatty acid, and a methyl branched-chain fatty acid. Its function is related to that of heptadecanoic acid. It has been reported that 16-methylheptadecanoic acid is found in Streptomyces, Aristolochia macrophylla, and other organisms with relevant data.
Isostearic acid is a branched-chain saturated fatty acid used as an emulsifier and stabilizer in personal care products. It is also used in lubricants and industrial applications. The compound has a molecular formula of C18H36O2 and a molecular weight of 284.48. It is not approved as a therapeutic agent but is widely used in cosmetic and personal care formulations. Its branched structure provides improved oxidative stability and performance in formulations. Isostearic acid is available as a high-purity research reagent for laboratory use. |
| Molecular Formula |
C18H36O2
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|---|---|
| Molecular Weight |
284.48
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| Exact Mass |
284.271
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| CAS # |
2724-58-5
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| PubChem CID |
21859
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| Appearance |
Colorless to light yellow liquid
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| Density |
0.9±0.1 g/cm3
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| Boiling Point |
400.8±13.0 °C at 760 mmHg
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| Melting Point |
67.8-68.5°C (lit.)
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| Flash Point |
225.6±8.2 °C
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| Vapour Pressure |
0.0±2.0 mmHg at 25°C
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| Index of Refraction |
1.455
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| LogP |
8.03
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
15
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| Heavy Atom Count |
20
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| Complexity |
212
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| Defined Atom Stereocenter Count |
0
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| SMILES |
OC(CCCCCCCCCCCCCCC(C)C)=O
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| InChi Key |
XDOFQFKRPWOURC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
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| Chemical Name |
16-methylheptadecanoic acid
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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 |
| 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) |
DMSO : ~100 mg/mL (~351.52 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.79 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. Solubility in Formulation 2: ≥ 2.38 mg/mL (8.37 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 23.8 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.5152 mL | 17.5759 mL | 35.1519 mL | |
| 5 mM | 0.7030 mL | 3.5152 mL | 7.0304 mL | |
| 10 mM | 0.3515 mL | 1.7576 mL | 3.5152 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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