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| Other Sizes |
| Targets |
The primary targets of 2-Heptanol include bacterial pathogens and metabolic pathways. The compound exhibits antibacterial activity by speeding up amino acid metabolism and slowing down membrane transport. It is identified in turmeric and Curcuma longa rhizome essential oil and has been characterized for its antibacterial and antioxidant properties. The compound does not have a defined receptor target but exerts its effects through direct antibacterial mechanisms.
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| ln Vitro |
In vitro, 2-Heptanol demonstrates antibacterial activity. As a compound identified in turmeric and Curcuma longa rhizome essential oil, it has been characterized for its antibacterial and antioxidant properties. The antibacterial activity is concentration-dependent and has been demonstrated in standard microbiological assays. The compound's mechanism of action involves speeding up amino acid metabolism and slowing down membrane transport.
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| ln Vivo |
In vivo activity of 2-Heptanol has not been extensively characterized. As a natural product with antibacterial and antioxidant effects, it has potential for protecting against microbial infections and oxidative stress. However, detailed in vivo pharmacokinetic and pharmacodynamic studies are limited. The compound is primarily studied for its antibacterial and antioxidant properties in vitro.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for 2-Heptanol typically involve antibacterial susceptibility testing. Bacterial strains are cultured in appropriate media and treated with serial dilutions of 2-Heptanol. The minimum inhibitory concentration (MIC) is determined after 24 hours of incubation at 37°C using the broth microdilution method. The compound's effects on amino acid metabolism and membrane transport can be assessed using metabolic assays.
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| Cell Assay |
In vitro cellular assays for 2-Heptanol involve testing its antibacterial activity against bacterial pathogens. Bacterial cultures are grown in appropriate media and treated with serial dilutions of 2-Heptanol (0.1-1000 µg/mL). After 24 hours of incubation, the optical density at 600 nm is measured to determine bacterial growth inhibition. The minimum inhibitory concentration (MIC) is calculated from the dose-response curves.
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| Animal Protocol |
In vivo animal studies for 2-Heptanol are limited, as the compound is primarily studied in vitro. For antibacterial efficacy testing, animal models of infection could be used. Animals would be treated with 2-Heptanol via oral or topical administration, and bacterial burden in target tissues would be assessed. However, detailed in vivo protocols are not well established in the available literature.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of 2-Heptanol include a molecular weight of 116.20 and a molecular formula of C₇H₁₆O. It is a colorless, transparent alcohol with a slight alcoholic odor, insoluble in water, and soluble in most organic liquids. It has moderate toxicity. The compound is stable under recommended storage conditions.
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| Toxicity/Toxicokinetics |
The toxicity profile of 2-Heptanol includes moderate toxicity. Standard toxicity studies include assessment of acute oral toxicity, dermal irritation, and repeated-dose toxicity in animal models. The compound is intended for research use only and is not approved for clinical use.
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| References | |
| Additional Infomation |
2-Heptanol is a colorless, transparent alcohol with a slight alcoholic odor. It is insoluble in water and floats on the surface. It is soluble in most organic liquids. It has moderate toxicity. It can be used as a solvent for various resins and as a flotation agent for ores.
Heptanol-2-ol is a secondary alcohol, a product of heptane with a hydroxyl group replaced at the 2-position. It is a metabolite of both bacteria and plants. It is a heptanol and also a secondary alcohol. 2-Heptanol has been reported to be present in tea (Camellia sinensis), corn (Zea mays), and several other organisms with relevant data. 2-Heptanol is a metabolite found or produced in Saccharomyces cerevisiae. 2-Heptanol (CAS 543-49-7) has a molecular formula of C₇H₁₆O and a molecular weight of 116.20. It is a chemical compound identified in turmeric and Curcuma longa rhizome essential oil with antibacterial activity. It is a colorless, transparent alcohol with moderate toxicity and is used in research for its antibacterial and antioxidant properties. |
| Molecular Formula |
C7H16O
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|---|---|
| Molecular Weight |
116.20
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| Exact Mass |
116.12
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| CAS # |
543-49-7
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| PubChem CID |
10976
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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 |
159.4±3.0 °C at 760 mmHg
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| Flash Point |
64.4±0.0 °C
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| Vapour Pressure |
0.9±0.6 mmHg at 25°C
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| Index of Refraction |
1.421
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| LogP |
2.29
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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 |
4
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| Heavy Atom Count |
8
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| Complexity |
43.7
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
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| InChi Key |
CETWDUZRCINIHU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
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| Chemical Name |
heptan-2-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 (860.59 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (21.51 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 (21.51 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 (21.51 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 | 8.6059 mL | 43.0293 mL | 86.0585 mL | |
| 5 mM | 1.7212 mL | 8.6059 mL | 17.2117 mL | |
| 10 mM | 0.8606 mL | 4.3029 mL | 8.6059 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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