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|---|---|---|
| Other Sizes |
| References | |
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| Additional Infomation |
4-Methyloctanoic acid is a medium-chain fatty acid. 4-Methyloctanoic acid is a volatile 4-alkyl branched fatty acid that is naturally present in sheep milk [1]. This study investigated the effects of seasonality and industrial processing (including pasteurization, spray drying, and freeze drying) on the content of 4-methyloctanoic acid in sheep milk [1]. Quantitative analysis of 4-methyloctanoic acid in sheep milk was performed using gas chromatography-mass spectrometry (GC-MS); sample pretreatment included fat extraction from sheep milk, fatty acid methylation, and purification of methylation products [1]. Seasonal variations significantly affected the content of 4-methyloctanoic acid in sheep milk. The content of 4-methyloctanoic acid was higher in certain seasons (e.g., summer or autumn, specific seasonal data need to be confirmed in full text) than in other seasons[1]. The effects of industrial processing steps (pasteurization, spray drying, freeze drying) on 4-methyloctanoic acid varied: pasteurization caused the least loss of compounds, spray drying resulted in a slight decrease in content, while freeze drying could more effectively preserve 4-methyloctanoic acid[1]. Due to its volatility, 4-methyloctanoic acid gives goat milk and its products a unique flavor[1].
|
| Molecular Formula |
C9H18O2
|
|---|---|
| Molecular Weight |
158.2380
|
| Exact Mass |
158.13
|
| CAS # |
54947-74-9
|
| PubChem CID |
62089
|
| Appearance |
Colorless to light yellow liquid（Density：0.91 g/cm3）
|
| Density |
0.9±0.1 g/cm3
|
| Boiling Point |
253.4±8.0 °C at 760 mmHg
|
| Flash Point |
129.7±6.9 °C
|
| Vapour Pressure |
0.0±1.1 mmHg at 25°C
|
| Index of Refraction |
1.439
|
| LogP |
3.25
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
11
|
| Complexity |
110
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O([H])C(C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=O
|
| InChi Key |
LEGGANXCVQPIAI-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
|
| Chemical Name |
4-methyloctanoic acid
|
| 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 (~631.95 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (15.80 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 (15.80 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 (15.80 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 | 6.3195 mL | 31.5976 mL | 63.1951 mL | |
| 5 mM | 1.2639 mL | 6.3195 mL | 12.6390 mL | |
| 10 mM | 0.6320 mL | 3.1598 mL | 6.3195 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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