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| Other Sizes |
| Targets |
3-Pentanol does not have a specific biological target as it is primarily used as a solvent, flavoring agent, and chemical intermediate. As an alcohol, it exhibits the typical properties of alcohols in chemical reactions, such as hydroxyl group activity. Its primary targets are in chemical synthesis rather than biological systems.
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| ln Vitro |
3-Pentanol demonstrates in vitro activity as a solvent and chemical reagent. It is soluble in water and some organic solvents. The compound has moderate volatility and can form flammable mixtures with air. Its reactivity is characteristic of secondary alcohols.
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| ln Vivo |
In vivo activity of 3-pentanol is not extensively documented, as it is primarily used as a solvent and chemical intermediate. Its use as a flavoring agent suggests that it is safe for consumption at low levels. Further studies are needed to evaluate its biological effects.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays are not performed for 3-pentanol, as it is a solvent and chemical intermediate rather than a pharmacologically active compound. Its characterization involves chemical analysis methods such as GC and NMR.
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| Cell Assay |
In vitro cellular assays are not applicable to 3-pentanol, as it is a solvent and chemical intermediate rather than a bioactive compound tested directly on cells. Its use in cell culture may be as a solvent for other compounds.
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| Animal Protocol |
In vivo animal experiments for 3-pentanol are not extensively documented. The oral LD50 in rats is 1.87 g/kg, indicating low acute toxicity. The compound is used as a flavoring agent and is generally recognized as safe at low levels.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 3-pentanol indicate that it is slightly soluble in water (5.5 g/100 g at 30°C) and soluble in alcohol and ether. It has a boiling point of 114-115°C and a density of 0.815 g/mL. The compound is volatile and can form flammable mixtures.
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| Toxicity/Toxicokinetics |
3-Pentanol has low acute toxicity, with an oral LD50 of 1.87 g/kg in rats. The compound is flammable and should be handled with appropriate safety precautions. It is intended for research and industrial use. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
Secondary pentanol is a clear, colorless liquid with a strong odor. It is moderately toxic upon ingestion, and its vapor may irritate the skin and eyes. The vapor is heavier than air. Pentyl-3-ol is a secondary alcohol formed by replacing a hydroxyl group at the 3-position of pentane. It is produced by plants and is a component of sex pheromones released by insects. It can be used as a pheromone, biomarker, plant metabolite, and fuel additive. It is a secondary alcohol and also a pentanol. 3-Pentylol has been reported to be present in ginger (Zingiber mioga), cactus (Opuntia ficus-indica), and several other organisms with relevant data.
3-Pentanol (CAS#: 584-02-1) has the molecular formula C5H12O and a molecular weight of 88.15. It is a secondary alcohol widely used as a flavoring agent, organic solvent, and chemical intermediate. The compound is used as a reagent in the synthesis of bromopentanes and as a flotation agent for ores. |
| Molecular Formula |
C5H12O
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|---|---|
| Molecular Weight |
88.15
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| Exact Mass |
88.088
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| CAS # |
584-02-1
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| Related CAS # |
3-Pentanol-d5;144032-75-7
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| PubChem CID |
11428
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| Appearance |
Colorless to light yellow liquid
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| Density |
0.8±0.1 g/cm3
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| Boiling Point |
115.3±0.0 °C at 760 mmHg
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| Melting Point |
-8 °C
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| Flash Point |
40.6±0.0 °C
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| Vapour Pressure |
9.7±0.4 mmHg at 25°C
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| Index of Refraction |
1.405
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| LogP |
1.22
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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 |
2
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| Heavy Atom Count |
6
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| Complexity |
23.1
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCC(CC)O
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| InChi Key |
AQIXEPGDORPWBJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3
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| Chemical Name |
pentan-3-ol
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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 (1134.43 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (28.36 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 (28.36 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 (28.36 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 | 11.3443 mL | 56.7215 mL | 113.4430 mL | |
| 5 mM | 2.2689 mL | 11.3443 mL | 22.6886 mL | |
| 10 mM | 1.1344 mL | 5.6721 mL | 11.3443 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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