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6:2 Fluorotelomer alcohol

Alias: Perfluorohexylethyl alcohol; 6:2 FTOH; 1H,1H,2H,2H-Perfluoro-1-octanol; 2-(Perfluorohexyl)ethanol
Cat No.:V106471 Purity: ≥98%
6:2 Fluoro-terminated polyol (6:2FTOH) is a short-chain polyfluoroalkyl substance (PFAS) among polymerized PFAS. It can be degraded by microorganisms and has a significant impact on the structure of sediment bacterial communities, causing changes in the richness and diversity of bacterial communities.
6:2 Fluorotelomer alcohol
6:2 Fluorotelomer alcohol Chemical Structure CAS No.: 647-42-7
Product category: Bacterial
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
25g
Other Sizes
Official Supplier of:
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Product Description
6:2 Fluorotelomer alcohol (6:2 FTOH) is a short-chain polyfluoroalkyl substance (PFAS) in polymerized PFAS. It can be degraded by microorganisms and has a significant impact on the structure of sediment bacterial communities, causing changes in the richness and diversity of bacterial communities.
6:2 Fluorotelomer alcohol (6:2 FTOH; CAS# 647-42-7; C8H5F13O; MW 364.10) is a short-chain polyfluoroalkyl substance (PFAS) used as a monomer in the synthesis of fluorinated polymers and surfactants. It is a colorless to pale yellow liquid at room temperature and is used in environmental fate research, microbial degradation studies, and in vitro toxicology to investigate PFAS transformation and biological effects. It is strictly a research chemical, not a pharmaceutical.
Biological Activity I Assay Protocols (From Reference)
Targets
6:2 FTOH has no therapeutic target; it is an environmental contaminant. It can be degraded by microbial action, significantly affecting the structure of bacterial communities in sediments. In mammals, it may act as a liver and hematological toxicant, with the No Observed Adverse Effect Level (NOAEL) established at 5 mg/kg/day in a 90-day oral gavage study in rats, based on liver and hematology effects.
ln Vitro
Not applicable; 6:2 FTOH is not a drug and has no direct in vitro biological activity. In vitro, it is used to study the microbial degradation of PFAS and its impact on sediment bacterial ecology. In environmental fate research, it is used to investigate PFAS transformation, and it has been shown to be non-mutagenic in bacterial reverse mutation tests (Ames test) and not clastogenic in human lymphocytes.
ln Vivo
In vivo, 6:2 FTOH is evaluated in toxicology studies but is not a therapeutic agent. In a 90-day subchronic study, rats were administered 6:2 FTOH by oral gavage (0-250 mg/kg/day). The study NOAEL was 5 mg/kg/day based on hematology and liver effects. It was not a primary skin or eye irritant in rabbits and did not produce dermal sensitization in mice. It is slightly toxic by the oral route (LD50 = 1750 mg/kg in rats).
Enzyme Assay
Not applicable; 6:2 FTOH is not a standard enzyme inhibitor. For genotoxicity assessment, a bacterial reverse mutation test (Ames test) is performed using Salmonella typhimurium strains TA98, TA100, TA1535, TA1537, and TA98 with and without metabolic activation (S9 mix). 6:2 FTOH was not mutagenic in this assay. A chromosome aberration assay in human lymphocytes also showed it was not clastogenic.
Cell Assay
Not applicable; 6:2 FTOH is not used in standard cell-based assays for drug discovery. For toxicity screening, HepG2 or HEK293 cells are seeded in 96-well plates (1×10⁴ cells/well) and treated with the compound (1-1000 uM) for 24-72 h. Cell viability is measured by MTT assay. The CC₅0 is expected to be >500 uM, indicating low to moderate cytotoxicity. For environmental microbiology, bacterial cultures (sediment samples) are incubated with 6:2 FTOH to study microbial community changes by 16S rRNA sequencing.
Animal Protocol
In vivo toxicity of 6:2 FTOH is evaluated in a 90-day subchronic study in Sprague-Dawley rats. Rats (n=10/sex/group) are administered 6:2 FTOH by oral gavage at doses of 0, 5, 25, 125, and 250 mg/kg/day for 90 days. Clinical observations, body weight, and food consumption are monitored. Hematology, serum chemistry, and histopathology (liver, kidney, spleen, heart, lung) are performed. Mortality was observed at 125 and 250 mg/kg/day. The NOAEL is 5 mg/kg/day. The acute oral LD50 is 1,750 mg/kg. For dermal toxicity, rabbits are treated with 6:2 FTOH (LD50 > 5,000 mg/kg).
ADME/Pharmacokinetics
6:2 FTOH (MW 364.10) is a lipophilic molecule. Following oral administration, it is absorbed from the gastrointestinal tract. It distributes to the liver and other tissues. The elimination half-life in rodents is expected to be days to weeks, as is common for PFAS compounds. It is not metabolized significantly and is excreted in urine and feces. The compound has low volatility. For research use, it is stored as a liquid at room temperature in a tightly sealed container.
Toxicity/Toxicokinetics
6:2 FTOH is slightly toxic by the oral route (LD50 = 1,750 mg/kg in rats) and is a skin and eye irritant. In a 90-day subchronic study, the NOAEL was 5 mg/kg/day based on hematology and liver effects. It is not mutagenic in the Ames test and not clastogenic in human lymphocytes. It is not a skin sensitizer. The compound is persistent in the environment and is considered an environmental pollutant. For handling, use PPE (gloves, lab coat, goggles), work in a fume hood, avoid inhalation and skin contact.
References

[1]. Impact of the Biodegradation of 6:2 Fluorotelomer Alcohol on the Bacterial Community Structure of Surface Sediment. Environmental Science, 2017, 38(11): 4747-4755.

Additional Infomation
6:2 Fluorotelomer alcohol (6:2 FTOH; CAS# 647-42-7) is a research-grade short-chain PFAS used in environmental fate studies and microbial degradation research. It is not an FDA-approved drug. It is used as a reference standard for PFAS analysis and in studies of PFAS transformation and toxicology. For research use only, not for diagnostic or therapeutic applications.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C8H5F13O
Molecular Weight
364.10
Exact Mass
364.013
CAS #
647-42-7
PubChem CID
69537
Appearance
Colorless to light yellow liquid
Density
1.6±0.1 g/cm3
Boiling Point
174.1±0.0 °C at 760 mmHg
Flash Point
91.7±0.0 °C
Vapour Pressure
0.4±0.7 mmHg at 25°C
Index of Refraction
1.298
LogP
4.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
14
Rotatable Bond Count
6
Heavy Atom Count
22
Complexity
395
Defined Atom Stereocenter Count
0
SMILES
FC(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C([H])([H])C([H])([H])O[H])(F)F)(F)F)F
InChi Key
GRJRKPMIRMSBNK-UHFFFAOYSA-N
InChi Code
InChI=1S/C8H5F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2
Chemical Name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol
Synonyms
Perfluorohexylethyl alcohol; 6:2 FTOH; 1H,1H,2H,2H-Perfluoro-1-octanol; 2-(Perfluorohexyl)ethanol
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)
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
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
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*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 : PEG300Tween 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).
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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)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL 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).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.7465 mL 13.7325 mL 27.4650 mL
5 mM 0.5493 mL 2.7465 mL 5.4930 mL
10 mM 0.2746 mL 1.3732 mL 2.7465 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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