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| Other Sizes |
| Targets |
3,7-Dimethyl-1-octanol does not have a defined biological target as a therapeutic agent. It is a fatty alcohol used as a flavor and fragrance ingredient, solvent, and chemical intermediate. The compound is not intended to exert pharmacological effects. Its utility lies in its physical and chemical properties.
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| ln Vitro |
3,7-Dimethyloctan-1-ol is a biochemical reagent that can be utilized in life science research as an organic compound or biological material.
Specific in vitro activity data for 3,7-Dimethyl-1-octanol as a pharmacological agent are not documented in the literature. It is primarily used as a flavor and fragrance ingredient and as a research chemical. The compound is not characterized for direct biological activities such as enzyme inhibition or receptor modulation. Its effects in biological systems are primarily related to its physical properties. |
| ln Vivo |
3,7-Dimethyl-1-octanol is not used for in vivo pharmacological activity assessment as a drug compound. It is a flavor and fragrance ingredient and a research chemical. The compound is not intended to be administered for therapeutic purposes. Its presence in flavor and fragrance formulations is for its olfactory properties.
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| Enzyme Assay |
3,7-Dimethyl-1-octanol is not typically used in enzyme/receptor binding assays as a test compound. Its primary applications are as a flavor and fragrance ingredient and as a research chemical. When used in research, it may serve as a starting material for organic synthesis or as a standard for the analysis of branched-chain alcohols.
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| Cell Assay |
3,7-Dimethyl-1-octanol is not used in cell-based assays as a test compound. Its primary applications are as a flavor and fragrance ingredient and as a research chemical. The compound is not characterized for direct cellular effects. It may be used in studies of flavor perception or as a control compound in analytical method development.
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| Animal Protocol |
3,7-Dimethyl-1-octanol is not used in animal studies as a pharmacological agent. Its primary applications are as a flavor and fragrance ingredient and as a research chemical. The compound may be used in dermal safety studies to assess its irritation and sensitization potential. It is not administered as a test compound for efficacy evaluations.
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| ADME/Pharmacokinetics |
3,7-Dimethyl-1-octanol has a molecular weight of 158.28 g/mol and a molecular formula of C₁₀H₂₂O. It is a colorless liquid. The compound is used as a flavor and fragrance ingredient, solvent, and chemical intermediate. It is typically stored under standard laboratory conditions, protected from moisture and light.
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| Toxicity/Toxicokinetics |
3,7-Dimethyl-1-octanol is intended for research and industrial use only and is not approved for human therapeutic applications. As a fragrance ingredient, it has been evaluated for safety in cosmetic products. Standard safety precautions should be observed when handling this compound, including the use of appropriate personal protective equipment. The compound should be handled in well-ventilated areas with proper waste disposal procedures.
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| Additional Infomation |
(R)-Dihydrocitronellol is a fatty alcohol. 3,7-Dimethyloctyl-1-ol has been reported in Persicaria hydropiperoides, Persicaria minor, and Ambrosia confertiflora, but relevant data are unavailable.
3,7-Dimethyl-1-octanol (3,7-Dimethyloctan-1-ol) (CAS#: 106-21-8) has a molecular formula of C₁₀H₂₂O and a molecular weight of 158.28 g/mol. It is a branched-chain alcohol used as a flavor and fragrance ingredient, solvent, and chemical intermediate. This compound is not a drug and has not undergone clinical trials. |
| Molecular Formula |
C10H22O
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|---|---|
| Molecular Weight |
158.29
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| Exact Mass |
158.167
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| CAS # |
106-21-8
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| PubChem CID |
7792
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| Appearance |
Colorless to light yellow liquid（Density：0.8±0.1 g/cm3）
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| Density |
0.8±0.1 g/cm3
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| Boiling Point |
212.5±0.0 °C at 760 mmHg
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| Flash Point |
95.0±0.0 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.433
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| LogP |
3.69
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
6
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| Heavy Atom Count |
11
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| Complexity |
78.9
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)CCCC(C)CCO
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| InChi Key |
PRNCMAKCNVRZFX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3
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| Chemical Name |
3,7-dimethyloctan-1-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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| 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.
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