| Size | Price | Stock | Qty |
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| 1g |
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| 10g |
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| Other Sizes |
Purity: ≥98%
| Targets |
Biochemical reagent; chemical intermediate
The molecular targets of 3-Methyl-3-buten-1-ol are not directly relevant to its biological activity, as the compound is a synthetic intermediate rather than a pharmacologically active compound. However, the caffeic acid derivatives synthesized from 3-Methyl-3-buten-1-ol may target various biological molecules, including enzymes involved in cell proliferation (e.g., kinases, topoisomerases), androgen receptors, and DNA. The compound itself does not have specific biological targets and is not designed to interact with enzymes, receptors, or other biomolecules in a targeted manner. Its primary utility is as a building block for organic synthesis, enabling the preparation of more complex molecules with potential biological activities. The compound's alcohol and alkene functional groups allow for various chemical transformations, including esterification, etherification, epoxidation, and hydroboration, which are used to introduce diverse functionalities into target molecules. |
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| ln Vitro |
Isopentenyl alcohol is a naturally occurring metabolite/primary alcohol.May be used as a flavoring agent. Naturally occurs in the volatiles of pineapple essence; Used to make fragrance ingredients; [IUCLID] A flavoring agent that naturally occurs in roasted chicken and wine; [EFSA] Used in fuel formulation, as a monomer in polymer production, and to make large scale and fine chemicals;
In vitro activity of 3-Methyl-3-buten-1-ol is not characterized as a biological activity, as the compound is a synthetic intermediate rather than a pharmacologically active agent. The compound is used in organic synthesis to prepare caffeic acid derivatives, which are then evaluated for their biological activities. The caffeic acid derivatives synthesized from 3-Methyl-3-buten-1-ol have been reported to exhibit antiproliferative, antiandrogenic, and cytotoxic activities. The activity of these derivatives is assessed using various in vitro assays, including cell proliferation assays (MTT, CellTiter-Glo), androgen receptor binding assays, and cytotoxicity assays against cancer cell lines. The compound itself is not typically tested for biological activity, as it is an intermediate that is consumed during the synthesis of the final products. Specific IC50 or EC50 values for 3-Methyl-3-buten-1-ol against biological targets are not applicable. |
| ln Vivo |
In vivo activity of 3-Methyl-3-buten-1-ol is not relevant, as the compound is a synthetic intermediate used in organic synthesis and is not intended for administration to living organisms. The compound is not developed as a therapeutic agent and does not have pharmacological effects in vivo. Its use in biological research is limited to the synthesis of compounds that may have in vivo activity. The caffeic acid derivatives prepared from 3-Methyl-3-buten-1-ol may be evaluated for their in vivo efficacy in animal models of cancer, inflammation, or other diseases. However, the intermediate itself is not tested for in vivo efficacy. Appropriate safety precautions should be taken when handling the compound, as it is a flammable liquid and may cause skin and eye irritation.
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| Enzyme Assay |
For in vitro synthesis and characterization of caffeic acid derivatives from 3-Methyl-3-buten-1-ol, the following protocol is used: 3-Methyl-3-buten-1-ol is reacted with caffeic acid or its derivatives under esterification conditions. The reaction is typically carried out in the presence of a coupling agent such as dicyclohexylcarbodiimide (DCC) or 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide (EDC) and a catalyst such as 4-dimethylaminopyridine (DMAP) in an organic solvent (e.g., dichloromethane or DMF) at room temperature or under reflux. The reaction progress is monitored by TLC. The product is purified by column chromatography or recrystallization, and characterized by NMR, MS, and HPLC. The purity of the product is assessed by HPLC. The yield of the reaction is calculated based on the amount of starting material used. For optimization studies, the effect of reaction conditions (temperature, time, solvent, catalyst) on the yield and purity of the product is evaluated.
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| ADME/Pharmacokinetics |
3-Methyl-3-buten-1-ol (CAS# 763-32-6) is a synthetic intermediate with a molecular formula of C5H10O and a molecular weight of 86.13 g/mol. It is used in the synthesis of antiproliferative, antiandrogenic, and cytotoxic caffeic acid derivatives and as a fragrance ingredient. Future research could focus on developing new synthetic routes for caffeic acid derivatives with improved biological activities, exploring the structure-activity relationships of these derivatives, and investigating their potential therapeutic applications in cancer and other diseases.
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| Additional Infomation |
Isopentenol is a primary alcohol with the same structure as isoamyl alcohol, but with a double bond between C-3 and one of its C-4 atoms. It is a metabolite. It is both a primary alcohol and a homopropyl alcohol. 3-Methyl-3-buten-1-ol has been reported to be detected in bark beetles (Ips cembrae), manshuriensis moths (Bistorta manshuriensis), and other organisms with relevant data.
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| Molecular Formula |
C5H10O
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|---|---|
| Molecular Weight |
86.13
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| Exact Mass |
86.073
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| CAS # |
763-32-6
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| PubChem CID |
12988
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| Appearance |
Typically exists as solid at room temperature
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| Density |
0.8±0.1 g/cm3
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| Boiling Point |
114.2±9.0 °C at 760 mmHg
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| Flash Point |
36.1±0.0 °C
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| Vapour Pressure |
10.2±0.4 mmHg at 25°C
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| Index of Refraction |
1.422
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| LogP |
1.11
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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 |
47.9
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C=C(C)CCO
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| InChi Key |
CPJRRXSHAYUTGL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3
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| Chemical Name |
3-METHYL-3-BUTEN-1-OL
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| Synonyms |
NSC 12267; isoprenol; NSC 122673; 3-buten-1-oL; 3-methyl-3-butenol; 3-METHYL-3-BUTEN-1-OL; 3-Methylbut-3-en-1-ol; 763-32-6; Isoprenol; 3-Buten-1-ol, 3-methyl-; Isobutenylcarbinol; Methallylcarbinol; 2-Methyl-1-buten-4-ol; Methallyl carbinol3-methyl-3-buten-1-o; 3-Methylenebutan-1-ol; 3-Isopentenyl alcohol
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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 | 11.6104 mL | 58.0518 mL | 116.1036 mL | |
| 5 mM | 2.3221 mL | 11.6104 mL | 23.2207 mL | |
| 10 mM | 1.1610 mL | 5.8052 mL | 11.6104 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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