Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 252-043-1 | CAS number: 34454-97-2
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Hydrolysis
Administrative data
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- August 02, 2002 - August 20, 2002
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study conducted under GLP with acceptable calculation methods.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 002
- Report date:
- 2002
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Deviations:
- yes
- Remarks:
- deviation on half life calcualtion method.
- GLP compliance:
- yes
Test material
- Reference substance name:
- C4 sulfonamido alcohol
- IUPAC Name:
- C4 sulfonamido alcohol
- Details on test material:
- - Name of test material (as cited in study report):N-MeFBSE alcohol
- Substance type: single component
- Physical state: White Crystals
- Stability under test conditions: Stable
- Storage condition of test material: Ambient
Constituent 1
- Radiolabelling:
- no
Study design
- Analytical monitoring:
- yes
- Details on sampling:
- Pre-cleaned, amber 40-mL Teflon sealed crew-top bottles were used as test containers. The test containers were sparged with argon for
30 seconds.
Buffered aqueous solutions at nominal pH levels of 4, 7, and 9 were prepared. The buffer solutions were sparged with argon for 10 minutes.
Triplicate test samples of C4 sulfonamido alcohol were prepared by adding appropriate amount of C4 sulfonamido alcohol to the test containers containing 5 mL of buffer solution to yield a concentration of approximately 5 ppm.
The day 0 samples were quenched immediately with 30 mL THF.
The day 5 samples were incubated at 50 °C in an incubator that swirls samples at approximately 150 RPM. At the end of the day 5, the
samples were quenched with 30 mL THF.
Post hydrolysis spikes were added at appropriate levels.
The samples were refrigerated at 4°C until removed to add internal standard, and aliquot for analysis using LC/MS. - Buffers:
- pH 4 Buffer: 4.0 mL of 0.1N NaOH/ 500 mL 0.1 M K+Biphthalate; pH measured at day 5: 3.9
pH 7 Buffer: 296 mL 0.1 N NaOH/500 mL of 0.1N K+Phosphate; pH measured at day 5: 6.6
pH 9 buffer: 125 mL 0.1M Borax/ 1.2 N HCl as needed, pH measured at day 5: 8.5 - Details on test conditions:
- TEST SYSTEM
- Type, material and volume of test flasks, other equipment used: Pre-cleaned, amber 40-mL Teflon sealed crew-top bottles
- Measures taken to avoid photolytic effects: amber vials
- Measures to exclude oxygen: Buffers of pH 4, 7, and 9 were sparged with Argon for at least ten minutes prior to transfer into Argon
sparged vials. The test containers were sparged with argon for 30 seconds.
TEST MEDIUM
- Volume used/treatment: 5 mL buffer solution at pH 4, 7, 9
- Renewal of test solution: None
- Identity and concentration of co-solvent: no co-solvent
OTHER TEST CONDITIONS
- Adjustment of pH: None
- Dissolved oxygen: purged with Argon
Tetrahydrofuran (THF) will be added post hydrolysis as a quenching solvent
Duration of test
- Duration:
- 5 d
- Temp.:
- 50 °C
- Initial conc. measured:
- ca. 5 mg/L
- Number of replicates:
- three replicates.
- Positive controls:
- no
- Negative controls:
- no
Results and discussion
- Transformation products:
- yes
Identity of transformation productsopen allclose all
- No.:
- #1
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- N-MeFBSA
- Identifier:
- common name
- Identity:
- N-MeFBSA
- No.:
- #2
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- FBSA
- Identifier:
- common name
- Identity:
- FBSA
- No.:
- #3
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- PFBS
- Identifier:
- common name
- Identity:
- PFBS
- No.:
- #4
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- PFBA
- Identifier:
- common name
- Identity:
- PFBA
- Details on hydrolysis and appearance of transformation product(s):
- - Formation and decline of each transformation product during test: Fig.1
Dissipation DT50 of parent compoundopen allclose all
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- >= 1.67 yr
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Statistical Evaluation of standard deviation
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- >= 2.26 yr
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: LOQ of hydrolysis product PFBS
- Details on results:
- Triplicate samples contain 5 ppm of C4 sulfonamido alcohol were incubated at 50 °C for days at pH 4, 7, 9. C4 sulfonamido alcohol and its hydrolysis products PFBA, PFBS, FBSA, and N-MeFBSA were monitored at day 0 and day 5. No significant changes in the C4 sulfonamido alcohol concentration over the test period of 5 days at pH 4, 7, and 9 were observed (Table 1). The concentrations of the hydrolysis products were all below their respective limit of quantitation (LOQ) (Table 2).
In order to calculate the hydrolysis half life of C4 sulfonamido alcohol, two estimation methods were used to calculate the hydrolysis half life:
1) Statistical Evaluation of standard deviation to Determine the Reliability of Rate Constants Determined over all pH levels was used.
Measured C4 sulfonamido alcohol concentration range from 775.46 ng/mL to 848.54 ng/mL (exclude one statistical outlier) for day 0 and day 5 over all the pH levels. The overall average measured concentration was 805.33 ng/mL; with standard deviation of 22.89. Based on the eq. 1, the maximum hydrolysis rate constant is calculated to be 0.01137 day-1, resulting in half life of 60.98 days at 50 °C, equivalent to half life ≥ 1.67 years at 25 °C (Table 3).
2) The measured concentration of the potential hydrolysis product PFBS provide a second estimate for the half life of C4 sulfonamido alcohol. In the second method, the minimum pseudo first order hydrolytic half life of C4 sulfonamido alcohol was calculated by estimating how fast the C4 sulfonamido alcohol might degrade to generate PFBS. This estimate assumes that PFBS is the only hydrolytic product formed and that it is present at the concentration of the calculated limit of quantification (LOQ) of 25 ng/mL for PFBS, resulting a half life of ≥ 82.4 days at 50 °C (Table 3), equivalent to half life of ≥ 2.26 years at 25 °C (Table 3).
Any other information on results incl. tables
Table 1. C4 sulfonamido alcohol Concentration (ng/mL) (E02-0813)
Rep 1 (ng/mL) |
Rep 2 (ng/mL) |
Rep 3 (ng/mL) |
Avg (ng/mL) |
stdev |
% RSD |
|
pH = 4 |
||||||
Day 0 |
802.18 |
782.28 |
775.46 |
786.64 |
13.88 |
1.76% |
Day 5 |
775.74 |
797.68 |
805.43 |
792.95 |
15.4 |
1.94% |
pH = 7 |
||||||
Day 0 |
843.84 |
644.61* |
848.54 |
779.0 |
116.4 |
14.9% |
Day 5 |
796.2 |
806.14 |
790.19 |
797.51 |
8.05 |
1.01% |
pH = 9 |
||||||
Day 0 |
790.44 |
793.62 |
793.28 |
792.4 |
1.75 |
0.221% |
Day 5 |
825.35 |
829.77 |
834.43 |
829.85 |
4.54 |
0.547% |
Overall average of all measurements excluding the outlier |
805.33 |
|||||
Overall standard deviation of all measurements excluding the outlier |
22.89 |
*statistical outlier, not included in calculating half-life.
Table 2. Summary of PFBA, PFBS, FBSA, and N-MeFBSA Concentration
from the C4 sulfonamido alcohol hydrolysis (E02-0813)
Sample |
pH 4 (ng/mL) |
pH 7 (ng/mL) |
pH 9 (ng/mL) |
PFBA |
< 24.75 |
< 24.75 |
< 9.898 |
PFBS |
< 25.00 |
< 25.00 |
< 10.00 |
FBSA |
< 9.997 |
< 9.997 |
< 9.997 |
N-MeFBSA |
< 10.00 |
< 10.00 |
< 10.00 |
Table 3. C4 sulfonamido alcohol hydrolysis half-Life summary (E02-0813)
1) Statistical Evaluation of standard deviation to Determine the Reliability of Rate Constants Determined over all pH levels |
|
Half life equation |
Tp(1/2) ≥ (Tp ½) min = ln (2) / (Kp)max = ln (2) µpδ t / 2 σp |
Overall average of all measurements excluding the outlier ( µp) |
805.33 ng/mL |
Overall standard deviation of all measurements excluding the outlier (2 σp) |
22.89 |
δ t (days) |
5 |
Maximum rate constant (Kp) max |
K(p) max = 0.01137 day-1 |
Half life at 50 °C |
60.98 days |
Half life at 25 °C |
609.8 days |
Half life at 25 °C |
≥ 1.67 years |
2) Determination of the half-life using C4 sulfonamido alcohol Initial Concentration and the limit of quantification (LOQ) of PFBS |
|
Half life equation |
Tp(1/2) ≥ δ t [P0] ln 2 / A LOQ |
PFBS LOQ (ng/mL) |
25.00 ng/mL |
PFBS LOQ (mol/L) |
8.361E-08 |
Molecular weight |
299 |
Expected concentration of N-MeFBSE alcohol (ng/mL) |
71.5 |
P0 (mol/L) |
1.989E-06 |
A LOQ(mol/L) |
8.361E-08 |
δ t (days) |
5 |
Half life at 50 °C |
≥ 82.4 days |
Half life at 25 °C |
≥ 824 days |
Half life at 25 °C |
≥ 2.26 years |
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- No significant changes in the C4 sulfonamido alcohol concentration over the test period of 5 days at pH 4, 7, and 9 were observed. A minimum hydrolytic half life of 1.67 years at 25 °C was calculated based on the evaluation of the standard deviation of measured concentration determined at pH 4, 7, 9. An alternative calculation that consides the initial C4 sulfonamido alcohol concentration and the LOQ of the possible hydrolysis product PFBS, yields a minimum hydrolytic half life of 2.26 years. These hydrolytic rates are independent of pH.
- Executive summary:
Triplicate samples contain 5 ppm of C4 sulfonamido alcohol were incubated at 50 °C for days at pH 4, 7, 9. C4 sulfonamido alcohol and its hydrolysis products PFBA, PFBS, FBSA, and N-MeFBSA were monitored at day 0 and day 5. No significant changes in the C4 sulfonamido alcohol concentration over the test period of 5 days at pH 4, 7, and 9 were observed. The concentrations of the hydrolysis products, PFBA, PFBS, FBSA, and N-MeFBSA, were all below their respective limit of quantitation (LOQ).
In order to calculate the hydrolysis half life of C4 sulfonamido alcohol, two estimation methods were used to calculate the hydrolysis half life: 1) Statistical Evaluation of standard deviation to Determine the Reliability of Rate Constants Determined over all pH levels was used. 2) The measured concentration of the potential hydrolysis product PFBS provide a second estimate for the half life of C4 sulfonamido alcohol.
Based on the evaluation of the standard deviation of measured concentrations determined at pH 4, 7, 9, C4 sulfonamido alcohol has a minimum hydrolytic half life of 1.67 years at 25 °C. An alternative calculation that consides the initial C4 sulfonamido alcohol concentration and the LOQ of the possible product PFBS, yields a minimum hydrolytic half life of 2.26 years. These hydrolytic rates are independent of pH.
This is a guideline study conducted under GLP. The estimation methods meet generally accepted calculation method. Therefore, it is considered reliable with acceptable restriction.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.