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EC number: 682-239-6 | CAS number: 1190931-41-9
- 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
Acute Toxicity: oral
Administrative data
- Endpoint:
- acute toxicity: oral
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- supporting study
- Study period:
- 2009-03-09 to 2009-12-14
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- The experimental study on the supporting substance is guideline-conform under GLP without deviations.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 009
- Report date:
- 2009
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 423 (Acute Oral toxicity - Acute Toxic Class Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method B.1 tris (Acute Oral Toxicity - Acute Toxic Class Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 870.1100 (Acute Oral Toxicity)
- Deviations:
- no
- GLP compliance:
- yes
- Test type:
- acute toxic class method
- Limit test:
- no
Test material
- Reference substance name:
- C6O4 cyclic
- IUPAC Name:
- C6O4 cyclic
- Reference substance name:
- Acetic acid, 2,2-difluoro-2-[[2,2,4,5- tetrafluoro-5-(trifluoromethoxy)-1,3- dioxolan-4-yl]oxy]-, ammonium salt (1:1)
- IUPAC Name:
- Acetic acid, 2,2-difluoro-2-[[2,2,4,5- tetrafluoro-5-(trifluoromethoxy)-1,3- dioxolan-4-yl]oxy]-, ammonium salt (1:1)
- Reference substance name:
- Reaction mass of ammonium difluoro {[(4S,5R)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy}acetate, ammonium difluoro {[(4R,5S)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy}acetate, ammonium difluoro {[(4S,5S)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy}acetate and ammonium difluoro {[(4R,5R)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy}acetate
- EC Number:
- 682-238-0
- Cas Number:
- 1190931-27-1
- Molecular formula:
- C6H4F9NO6
- IUPAC Name:
- Reaction mass of ammonium difluoro {[(4S,5R)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy}acetate, ammonium difluoro {[(4R,5S)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy}acetate, ammonium difluoro {[(4S,5S)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy}acetate and ammonium difluoro {[(4R,5R)-2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy}acetate
- Details on test material:
- - Name of test material (as cited in study report): cC6O4 cyclic (SOLUTION 16%)
- Molecular formula (if other than submission substance): C6H4F9NO6
- Molecular weight (if other than submission substance): 357
- Smiles notation (if other than submission substance): [NH4+].FC1(F)OC(F)(OC(F)(F)C([O-])=O)C(F)(OC(F)(F)F)O1
- InChl (if other than submission substance): no data
- Structural formula attached as image file (if other than submission substance): see Fig.1 (C6O4 Structural formula)
- Substance type: pure substance in water solution
- Physical state: Liquid yellowish/colourless to yellow, clear solution
- Analytical purity: not reported
- Impurities (identity and concentrations): NH4F=28 (mg/l), NH4Cl=601(mg/l), the organic impurities are dioxolan based and represent the 0.8% by mol on total mol of organic phase of sample.
- Purity test date: not reported
- Lot/batch No.: 150/28
- Expiration date of the lot/batch: 31 December 2020
- Stability under test conditions: not reported
- Storage condition of test material: Ambient condition
Constituent 1
Constituent 2
Constituent 3
Test animals
- Species:
- rat
- Strain:
- Sprague-Dawley
- Sex:
- female
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Source: Harlan Italy S.r.l., 33049 San Pietro al Natisone (UD), Italy
- Age at study initiation: 6 to 7 weeks old
- Weight at study initiation: 150 to 174 grams
- Fasting period before study: Overnight prior to dosing (Day –1)
- Housing: Polycarbonate cages measuring 59x38.5x20 cm, with stainless steel mesh lid and floor
- Diet (e.g. ad libitum): 4 RF 18 ad libitum
- Water (e.g. ad libitum): ad libitum
- Acclimation period: At least 5 days
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 22°C ± 2°C
- Humidity (%): 55% ± 15%
- Air changes (per hr): Approximately 15 to 25 air changes per hour
- Photoperiod (hrs dark / hrs light): Artificial (fluorescent tubes), daily light/dark cycle of 12/12 hours
IN-LIFE DATES: From: 2009-03-11 To: 2009-04-03
Administration / exposure
- Route of administration:
- oral: gavage
- Vehicle:
- water
- Remarks:
- distilled
- Details on oral exposure:
- VEHICLE
- Concentration in vehicle: (160mg(dry salt)/ml) and 24 mg(dry salt)/ml
- Amount of vehicle (if gavage): Dose volume of 12.5 ml/kg of body weight for each animal.
- Justification for choice of vehicle: no justification given
- Lot/batch no. (if required): n.a.
- Purity: distilled water
MAXIMUM DOSE VOLUME APPLIED: Dose volume of 12.5 ml/kg of body weight for each animal.
DOSAGE PREPARATION (if unusual): n.a.
CLASS METHOD (if applicable)
- Rationale for the selection of the starting dose: 2000 mg(dry salt)/kg body weight, as limit dose for acute oral toxicity category IV (GHS/CLP) - Doses:
- 300 and 2000 mg(dry salt)/kg body weight
- No. of animals per sex per dose:
- 3
- Control animals:
- no
- Details on study design:
- - Duration of observation period following administration: 14 days
- Frequency of observations and weighing: Allocation (Day-1), Days 1, 2, 8 and 15.
- Necropsy of survivors performed: yes
- Other examinations performed: clinical signs, body weight - Statistics:
- no statistics applied
Results and discussion
Effect levels
- Sex:
- female
- Dose descriptor:
- LD50
- Effect level:
- > 300 - < 2 000 mg/kg bw
- Based on:
- test mat.
- Mortality:
- Mortality occurred in the 3 female animals dosed at 2000 mg(dry salt)/kg body weight (step 1); animals were found dead approximately 3 hours after dosing. No mortality was observed in the female animals dosed at 300 mg(dry salt)/kg body weight.
- Clinical signs:
- other: 2000 mg(dry salt)/kg body weight: Lethargy, difficult breathing, piloerection, tremors and salivation were observed prior to death with a various incidence. At 300 mg(dry salt)/kg body weight clinical signs were limited to piloerection observed at 2 and 4
- Gross pathology:
- At necropsy examination, performed on the early decedent animals dosed at 2000 mg(dry salt)/kg (step 1), abnormal colour of the liver (dark), abnormal contents (brown gelatinous) or areas (dark) in the stomach and red staining on the muzzle were recorded in all animals. In addition, abnormal colour (red) of the thymus was recorded in two animals.
No abnormalities were observed at necropsy examination performed at the end of the observation period on the animals dosed at 300 mg(dry salt)/kg body weight (steps 2 and 3). - Other findings:
- none reported
Applicant's summary and conclusion
- Interpretation of results:
- Category 4 based on GHS criteria
- Conclusions:
- C6O4 cyclic has a toxic effect on the rat following oral administration of a single dose at a level of 2000 mg(dry salt)/kg.
The mortality pattern of the test item, C6O4 cyclic, demonstrates the LD50 to be greater than 300 mg(dry salt)/kg but less than 2000 mg(dry salt)/kg body weight. The same level of toxicity is expected for F-Diox acid.
The European CLP regulation would suggest the classification : Acute oral toxicity - Category 4. - Executive summary:
In order to evaluate the potential oral acute toxicity of F- DIOX acid it was deemed appropriate to use the Read Across approach based on the experimental study performed on cC6O4 ammonium salt by virtue of similarity of chemical structure between F- DIOX acid and cC6O4 ammonium salt (CAS no: 1190931-27-1).
C6O4 ammonium salt is the ammonium salt of F-DIOX acid therefore C6O4 ammonium salt differ from F-DIOX acid only for the presence of the cationic part NH4+.
C6O4 ammonium salt is an highly soluble salt. During the oral toxicity study it was administered by gavage (vehicle: water). At the pH of gastric fluids C6O4 ammonium salt is assumed as completely dissociated, therefore the anionic form is probably the species systemically available and responsible of the observed toxicity.
F-DIOX acid is an organic strong acid. The product in aqueous media is in equilibrium with its anion. The pKa of the carboxylic acid is 1.61-1.99, less than 3 (gastric pH), therefore the anion is expected to be predominated at physiological pH.
Basing on consideration that the active species after oral administration is the same both for C6O4 ammonium salt and for F-DIOX acid, it is deemed appropriate to assume the same level of toxicity between the two substances.
The acute toxicity of C6O4 cyclic was investigated after a single oral administration (12.5 ml/kg in water) to female Sprague Dawley rats followed by a 14-day observation period. The animals were sacrificed at the end of the observation period and subjected to necropsy examination.
A first sub-group of 3 female animals was initially dosed at 2000 mg(dry salt)/kg body weight (step 1). Mortality occurred in all animals between 2 and 4 hours after dosing. Lethargy, difficult breathing, piloerection, tremors and salivation were observed prior to death with a various incidence. At necropsy examination, performed on the early decedent animals, dark colour of the liver, brown gelatinous contents or dark areas in the stomach and red staining on the muzzle were recorded in all animals. In addition, red colour of the thymus was recorded in two animals.
A second and third subgroup, each composed of 3 females, were then dosed at 300 mg(dry salt)/kg body weight (steps 2 and 3). No mortality was recorded in any animal. Clinical signs were limited to piloerection observed on the day of dosing.
A very slight body weight loss was detected in two animals on Day 15, without any toxicological significance. Body weight changes were within the expected range for this strain and age of animals.
No abnormalities were observed at necropsy examination performed at the end of the observation period in these animals.
These results indicate that the test item, C6O4 cyclic, has a toxic effect on the rat following oral administration of a single dose at a level of 2000 mg(dry salt)/kg. The mortality pattern demonstrates the LD50 to be greater than 300 mg(dry salt)/kg but less than 2000 mg(dry salt)/kg body weight. European Directives concerning the classification, packaging and labelling of dangerous substances (Council Regulation (EC) No. 1272/2008 and subsequent revisions) would suggest the following:
Classification : Acute oral toxicity - Category 4
Signal word : Warning
Hazard statement (Oral) : H302: Harmful if swallowed
Considering the discussed above, the same classification would be applied to F- Diox acid.
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