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| Other Sizes |
| Targets |
4-Methyl-1-pentanol targets various biological pathways depending on its derivatives. As an alcohol, it can be metabolized by alcohol dehydrogenase to the corresponding aldehyde and acid. The compound's branched-chain structure may influence its metabolism and biological activity. Its role as a solvent and chemical intermediate suggests it can be used to generate compounds with diverse biological targets. Further research is needed to identify any direct biological targets of the parent compound.
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| ln Vitro |
In vitro studies of 4-Methyl-1-pentanol have focused on its role as a solvent and chemical intermediate. The compound's physical and chemical properties have been characterized. It is used as a solvent in various chemical reactions and as a building block for the synthesis of pharmaceuticals, fragrances, and plasticizers. Its purity and identity are assessed using analytical chemistry methods. These in vitro studies provide foundational data for understanding the compound's utility in industrial and research applications.
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| ln Vivo |
In vivo studies of 4-Methyl-1-pentanol are limited, as the compound is primarily used as a solvent and chemical intermediate. As an alcohol, it would be metabolized by alcohol dehydrogenase to the corresponding aldehyde and acid. However, comprehensive in vivo studies specifically targeting 4-Methyl-1-pentanol are not well documented in the available literature. Further research is needed to fully characterize its in vivo pharmacokinetic and pharmacodynamic properties.
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| Enzyme Assay |
In vitro chemical assays for 4-Methyl-1-pentanol involve testing its purity and properties as a solvent and chemical intermediate. The compound's purity and identity are assessed using analytical chemistry methods such as gas chromatography, nuclear magnetic resonance spectroscopy, and mass spectrometry. Its physical properties such as boiling point, density, and solubility are characterized. All assays are performed with appropriate controls and standardized protocols to ensure reproducibility of results.
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| Cell Assay |
In vitro cell-based assays for 4-Methyl-1-pentanol are limited, as the compound is primarily used as a solvent and chemical intermediate rather than a biological agent. Its potential cytotoxicity would be evaluated in the context of its use as a solvent. Cells could be treated with varying concentrations of the compound and cell viability assessed using MTT or similar colorimetric assays. However, comprehensive cell-based studies specifically targeting 4-Methyl-1-pentanol are not well documented in the available literature.
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| Animal Protocol |
In vivo animal experiments for 4-Methyl-1-pentanol would be conducted to evaluate its safety profile as a solvent and chemical intermediate. Animals would be administered the compound and observed for signs of toxicity. Parameters assessed would include body weight, organ weights, and histopathology. Control groups receiving vehicle alone would be included for comparison. All procedures would comply with institutional animal care and use committee guidelines. Comprehensive in vivo studies are not well documented in the available literature.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of 4-Methyl-1-pentanol reflect its nature as a small alcohol. It has a molecular weight consistent with its formula C6H14O. As a lipophilic alcohol, it is readily absorbed through the gastrointestinal tract and distributed throughout the body. The compound is metabolized by alcohol dehydrogenase to the corresponding aldehyde and acid, which are further metabolized and excreted. Complete pharmacokinetic profiling including half-life, clearance, and bioavailability would require further systematic studies.
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| Toxicity/Toxicokinetics |
The toxicity profile of 4-Methyl-1-pentanol has been evaluated in the context of its use as a solvent and research chemical. As an alcohol, it may cause irritation to skin, eyes, and respiratory tract. Ingestion or inhalation of large amounts may cause central nervous system depression. Proper handling procedures including use of personal protective equipment and adequate ventilation are recommended when working with pure compound. The compound is not approved for human therapeutic use and is intended for research purposes only.
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| References |
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| Additional Infomation |
4-Methylpentane-1-ol is a primary alcohol, consisting of penta-1-ol with an additional methyl substituent at the 4-position. It is a metabolite. It is both a primary alcohol and an alkyl alcohol. 4-Methylpentane-1-ol has been reported to exist in angelica, capsicum, and other organisms with relevant data. 4-Methylpentane-1-ol is a metabolite found or produced in Saccharomyces cerevisiae.
4-Methyl-1-pentanol (CAS# 626-89-1), also known as Isohexanol, is a branched-chain alcohol with the molecular formula C6H14O. It is a colorless liquid with a characteristic odor. The compound is used as a solvent and chemical intermediate in organic synthesis and industrial applications. As an alcohol, it is a versatile building block for the synthesis of various compounds including pharmaceuticals, fragrances, and plasticizers. 4-Methyl-1-pentanol is intended for research use only and is not for human therapeutic use. |
| Molecular Formula |
C6H14O
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|---|---|
| Molecular Weight |
102.18
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| Exact Mass |
102.104
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| CAS # |
626-89-1
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| PubChem CID |
12296
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| Appearance |
Colorless to light yellow liquid
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| Density |
0.821 g/mL at 25 °C(lit.)
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| Boiling Point |
160-165 °C(lit.)
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| Flash Point |
125 °F
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| Index of Refraction |
n20/D 1.414(lit.)
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| LogP |
1.414
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
7
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| Complexity |
33.2
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
|
| InChi Key |
PCWGTDULNUVNBN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3
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| Chemical Name |
4-methylpentan-1-ol
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| Synonyms |
Isohexanol; 4-Methyl-1-pentanol
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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 (978.67 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (24.47 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 (24.47 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 (24.47 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 | 9.7867 mL | 48.9333 mL | 97.8665 mL | |
| 5 mM | 1.9573 mL | 9.7867 mL | 19.5733 mL | |
| 10 mM | 0.9787 mL | 4.8933 mL | 9.7867 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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