| Size | Price | Stock | Qty |
|---|---|---|---|
| 5g |
|
||
| 10g |
|
||
| Other Sizes |
| Targets |
Decan-4-ol does not have a specific biological target. As an alcohol, it may interact with biological membranes and proteins through hydrophobic and hydrogen bonding interactions. The compound is primarily used as a flavor and fragrance ingredient rather than as a pharmacologically active compound. Its biological effects are related to its physicochemical properties as a medium-chain alcohol.
|
|---|---|
| ln Vitro |
Decan-4-ol has been studied for its antimicrobial and sensory properties. As a flavor and fragrance compound, it may have mild antimicrobial activity. However, its primary use is in the flavor and fragrance industry rather than as a pharmacologically active compound. In vitro studies are focused on its sensory properties and chemical reactivity rather than biological activity.
|
| ln Vivo |
Decan-4-ol has no therapeutic activity in vivo. It is used as a flavoring agent and fragrance ingredient and is generally recognized as safe for use in food and cosmetic products. The compound is metabolized in the body through oxidation to the corresponding ketone or carboxylic acid. No significant pharmacological effects have been reported.
|
| Enzyme Assay |
In vitro assays for Decan-4-ol are typically analytical rather than biological. The compound is analyzed by gas chromatography (GC) or GC-MS for purity and identity. Sensory evaluation is performed to assess its odor characteristics. Antimicrobial activity can be assessed using agar diffusion or broth dilution methods, though this is not a primary application.
|
| Cell Assay |
Cellular assays for Decan-4-ol are not typically performed as the compound is not a drug candidate. If tested, its effects on cell viability and membrane integrity could be assessed. However, the compound is primarily used in the flavor and fragrance industry and is not studied for pharmacological activity in cell-based systems.
|
| Animal Protocol |
Decan-4-ol is not used in animal studies as a therapeutic agent. The compound is a flavoring agent and is generally recognized as safe. Metabolism studies in animals have shown that decan-4-ol is oxidized to the corresponding ketone or carboxylic acid and excreted. No significant pharmacological or toxicological effects have been reported at the levels used in food and cosmetic products.
|
| ADME/Pharmacokinetics |
Decan-4-ol has a molecular weight of 158.28 g/mol and molecular formula C10H22O. It is a colorless liquid with a boiling point of approximately 210-215°C and a density of 0.83 g/mL. The compound is slightly soluble in water and miscible with organic solvents. It should be stored in a cool, dry place away from light and air.
|
| Toxicity/Toxicokinetics |
Decan-4-ol is generally recognized as safe (GRAS) for use as a flavoring agent in food and as a fragrance ingredient in cosmetics. At typical usage levels, the compound has low toxicity. Skin irritation may occur at high concentrations. The compound should be handled with standard laboratory precautions. No significant toxicity has been reported at the levels used in consumer products.
|
| References | |
| Additional Infomation |
Decane-4-ol is a secondary alcohol formed by replacing the hydroxyl group at the 4-position of decane. It plays a metabolic role in mammals. It is both decanol and a secondary alcohol.
Decan-4-ol (4-decanol) is a secondary alcohol used as a flavoring agent, fragrance ingredient, and intermediate in organic synthesis. It is a colorless liquid with a mild, fatty odor. The compound is naturally found in various essential oils and is used in food and cosmetic products. Decan-4-ol is not a drug and has no therapeutic applications. It is for research use as a reference standard or chemical intermediate. |
| Molecular Formula |
C10H22O
|
|---|---|
| Molecular Weight |
158.285
|
| Exact Mass |
158.167
|
| CAS # |
2051-31-2
|
| PubChem CID |
16320
|
| Appearance |
Light yellow to yellow liquid
|
| Density |
0.82
|
| Boiling Point |
210-211 °C
|
| Flash Point |
82 °C
|
| Vapour Pressure |
0.0365mmHg at 25°C
|
| Index of Refraction |
1.431-1.433
|
| LogP |
3.117
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
7
|
| Heavy Atom Count |
11
|
| Complexity |
71.3
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCCCCCC(CCC)O
|
| InChi Key |
DTDMYWXTWWFLGJ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C10H22O/c1-3-5-6-7-9-10(11)8-4-2/h10-11H,3-9H2,1-2H3
|
| Chemical Name |
decan-4-ol
|
| Synonyms |
EINECS 218-117-2; AI3-19949; Decan-4-ol
|
| 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 Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
|---|
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.3175 mL | 31.5876 mL | 63.1752 mL | |
| 5 mM | 1.2635 mL | 6.3175 mL | 12.6350 mL | |
| 10 mM | 0.6318 mL | 3.1588 mL | 6.3175 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
