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5-Hexen-1-ol

5-Hexen-1-ol is an aromatic substance with an aroma similar to herbs, tea, and citrus.
5-Hexen-1-ol
5-Hexen-1-ol Chemical Structure CAS No.: 821-41-0
Product category: Biochemical Assay Reagents
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
50g
100g
Other Sizes
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Product Description
5-Hexen-1-ol is an aromatic substance with an aroma similar to herbs, tea, and citrus. Therefore, it is widely used in the food, flavor and perfume industries, and is extensively used in the preparation of various food flavors, spices, flavorings, essential oils, cosmetics and other products.
5-Hexen-1-ol is an unsaturated primary alcohol with a six-carbon chain, widely used as a building block in organic synthesis and pharmaceutical research. It is a colorless liquid with a characteristic green, herbal odor reminiscent of tea and citrus, which makes it a common ingredient in the flavor and fragrance industry for food additives, perfumes, and cosmetics. In chemical synthesis, it serves as a precursor for the production of tetrahydropyran via phenylselenoetherification and is utilized in the synthesis of various biologically active molecules. While not a therapeutic drug itself, its primary applications lie in biochemical experimentation and as an intermediate in drug discovery processes. It is available in high purity for research use only, and safety data indicates it may cause skin and eye irritation.
Biological Activity I Assay Protocols (From Reference)
Targets
5-Hexen-1-ol is a synthetic intermediate and does not have a defined biological drug target. As a simple unsaturated alcohol, it is not designed to bind to specific proteins, enzymes, or receptors within biological systems. Instead, its chemical reactivity enables it to act as a precursor for the synthesis of more complex pharmaceutical compounds. Therefore, in the context of drug development, its role is to provide a versatile chemical platform for constructing molecules that possess targeted biological activities. It has no reported affinity for therapeutic targets such as kinases, GPCRs, or ion channels.
ln Vitro
5-Hexen-1-ol is a biochemical reagent that can be utilized in life science research as an organic compound or biological material.
No validated in vitro biological activity data are available for 5-Hexen-1-ol, as it is primarily utilized as a chemical synthetic intermediate rather than a pharmacologically active agent. It has not been shown to induce specific cellular responses such as cytotoxicity, apoptosis, or signal transduction modulation in cultured cells. In biochemical experiments, it serves as a starting material for the synthesis of molecules with potential antimicrobial or other bioactive properties, but the parent compound itself does not exhibit measurable activity in standard cell-based assays. Any observed effects in vitro would be attributable to its downstream synthetic derivatives rather than the compound itself.
ln Vivo
No in vivo pharmacological activity data are available for 5-Hexen-1-ol. The compound has not been evaluated in animal models for efficacy in treating any disease condition, as its function is predominantly as a synthetic precursor rather than an active pharmaceutical ingredient. It may be used as a reagent in ex vivo chemical synthesis studies, but no pharmacokinetic or pharmacodynamic studies have been reported for this compound in living organisms. Therefore, it should not be considered a candidate for in vivo therapeutic applications.
Enzyme Assay
As a simple chemical alcohol, 5-Hexen-1-ol is not used in enzyme or receptor binding assays. There are no reported studies investigating its direct interaction with any purified enzyme or receptor protein. In contrast to chromogenic or radiolabeled substrates, 5-Hexen-1-ol lacks the structural features required to serve as a high-affinity ligand for biological macromolecules. Consequently, standard enzyme inhibition or receptor binding protocols are not applicable to this compound, and no experimental procedures have been established or published for such purposes.
Cell Assay
No standardized cell-based experimental protocols exist specifically for 5-Hexen-1-ol, as it is not a bioactive molecule intended for cellular assays. However, for general handling in research settings, the compound is typically dissolved in organic solvents such as ethanol or DMSO to prepare stock solutions. It can be added to cell culture media at low concentrations (<0.1% v/v) for evaluating its compatibility with biological systems, though no specific cell lines or assay readouts are recommended. For cytotoxicity screening, a typical protocol would involve seeding cells in 96-well plates, treating with serial dilutions of the compound (1-1000 microM), and measuring viability using MTT or CellTiter-Glo after 24-72 hours of incubation.
Animal Protocol
No in vivo animal experiments have been conducted or reported for 5-Hexen-1-ol as a test article. The compound is not intended for therapeutic use, and therefore no efficacy studies in disease models or safety pharmacology assessments have been performed. In the context of chemical synthesis research, it may be used as a starting material to generate compounds for subsequent animal studies, but the parent compound itself is not administered to animals for pharmacological evaluation. Standard practices for handling organic solvents in laboratory animals would apply if any incidental administration were to occur, but such data are not available.
ADME/Pharmacokinetics
No pharmacokinetic data are available for 5-Hexen-1-ol. As a small, lipophilic alcohol (molecular weight 100.16 g/mol), it is expected to be rapidly absorbed if administered, but no absorption, distribution, metabolism, excretion (ADME), or bioavailability studies have been reported. It is not a drug candidate, and comprehensive PK profiling has not been performed. The compound is stable under standard storage conditions but should be kept away from strong oxidizing agents. Solubility is moderate in water and good in most organic solvents (ethanol, ether).
Toxicity/Toxicokinetics
5-Hexen-1-ol is classified as an irritant and can cause skin and eye irritation upon direct contact. Inhalation of vapors may cause respiratory tract irritation. The compound has low acute toxicity (oral LD50 >2000 mg/kg in rats, estimated based on structurally similar alcohols). Chronic exposure data are not available. Standard laboratory precautions (gloves, goggles, fume hood) should be used. It is not classified as a carcinogen, mutagen, or reproductive toxin under GHS regulations.
Additional Infomation
According to reports, thyme contains 5-hexen-1-ol, and relevant data is available for reference.
5-Hexen-1-ol is not a drug and has not undergone clinical trials nor received regulatory approval for therapeutic use. It is exclusively distributed as a research-grade chemical reagent for synthetic chemistry and biochemical experimentation. The compound is recognized in flavor and fragrance formulations as a safe additive (generally recognized as safe, GRAS, by FEMA, flavor number 4401) but not for pharmaceutical administration. In drug development, it serves as an intermediate for synthesizing more complex molecules, such as tetrahydropyran derivatives, which may then be evaluated as drug candidates. No patent data or specific therapeutic applications are associated with the compound itself.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C6H12O
Molecular Weight
100.16
Exact Mass
100.088
CAS #
821-41-0
PubChem CID
69963
Appearance
Colorless to light yellow liquid(Density:0.8453 g/cm³)
Density
0.8±0.1 g/cm3
Boiling Point
149.9±19.0 °C at 760 mmHg
Melting Point
<-20ºC
Flash Point
47.2±0.0 °C
Vapour Pressure
1.5±0.6 mmHg at 25°C
Index of Refraction
1.431
LogP
1.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
4
Heavy Atom Count
7
Complexity
41.4
Defined Atom Stereocenter Count
0
SMILES
OCCCCC=C
InChi Key
UIZVMOZAXAMASY-UHFFFAOYSA-N
InChi Code
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6H2
Chemical Name
hex-5-en-1-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 Data
Solubility (In Vitro)
DMSO: 100 mg/mL (998.40 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (24.96 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 (24.96 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.

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Solubility in Formulation 3: ≥ 2.5 mg/mL (24.96 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly.


 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 9.9840 mL 49.9201 mL 99.8403 mL
5 mM 1.9968 mL 9.9840 mL 19.9681 mL
10 mM 0.9984 mL 4.9920 mL 9.9840 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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