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EC number: 441-000-4 | CAS number: 121219-07-6 1-ETHOXY-2,3-DIFLUORBENZOL; 1-ETHOXY-2,3-DIFLUOROBENZENE; 2,3-DIFLUOROPHENETOL; DIPHOL
- 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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2000-10-13
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- OECD Guideline No. 117, adopted on 30th March 1989.
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- Commission Directive No. 92/69/EEC, A.8, 31 July 1992 (HPLC method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.82
- Temp.:
- 23 °C
- Remarks on result:
- other: pH value not reported
- Conclusions:
- The partition coefficient of the test item was determined to be 2.82 at 23 °C.
- Executive summary:
The partition coefficient (Pow) of the test item was estimated according to the test guidelines described in Commission Directive 92/69/EEC, A.8, 31 July 1992 and OECD Guideline for Testing of Chemicals No. 117 "Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method". Therefore, HPLC was performed on a Symmetry Cl8 column packed with solid phase containing long hydrocarbon chains chemically bound onto silica. The test substance was eluted along the column by partitioning between the mobile solvent phase and the hydrocarbon stationary phase. The test substance was retained in proportion to its hydrocarbon-water partition coefficient. Using reference substances a relationship between the retention time on a reverse-phase column and the n-octanol/water partition coefficient was established. The value of the partition coefficient was determined to be 2.82 at 23 °C.
Reference
Evaluation of k’ and Pow
The capacity factor k' was calculated from the dead time to and retention times according to the
equation:
k' = (tr-t0) / t0
to: HPLC dead time (min)
tr: HPLC retention time of test and reference substances (min)
The log k’ data of the reference substances were then plotted against their log Pow values from
batch equilibrium given in table 2. Using this plot, the Pow values determined for the reference
substances were within ± 0.5 log units of the values determined by the batch equilibrium method
in the OECD guideline and the log k’ value of the test substance was then used to determine its
log Pow value. The values of the Pow taken from the duplicate analyses were within the range of
0.1 log units.
Determination of dead time (t0)
Formamide, t0 = 1.19 min
Determination of the retention time (tr)
Nitrobenzene, tr = 5.50 min
Methyl benzoate, tr = 7.50 min
Ethyl benzoate , tr = 14.0 min
Toluene, tr = 17.8 min
1,4 Dichlorobenzene, tr = 38.8 min
Test item, tr = 18.7 min
Evaluation of k’ and log k'
Nitrobenzene, k’ = 3.61 log k' = 0.558
Methyl benzoate, k’ = 5.29 log k' = 0.724
Ethyl benzoate, k’ = 10.7 log k' = 1.03
Toluene, k’ = 13.9 log k'- 1.14
1,4 Dichlorobenzene, k’ = 31.5 log k'- 1.50
Test item, k’ = 14.7 log k'- 1.17
Evaluation of Pow: log Pow = 2.82 ± 0.01
Linear least squares regression: a = 1.58, b = 0.971, r2 = 0.99.
Description of key information
The partition coefficient of the test item was determined to be 2.82 at 23 °C (reference 4.7-1).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.82
- at the temperature of:
- 23 °C
Additional information
The partition coefficient (Pow) of the test item was estimated according to the test guidelines described in Commission Directive 92/69/EEC, A.8, 31 July 1992 and OECD Guideline for Testing of Chemicals No. 117 "Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method". Therefore, HPLC was performed on a Symmetry Cl8 column packed with solid phase containing long hydrocarbon chains chemically bound onto silica. The test substance was eluted along the column by partitioning between the mobile solvent phase and the hydrocarbon stationary phase. The test substance was retained in proportion to its hydrocarbon-water partition coefficient. Using reference substances a relationship between the retention time on a reverse-phase column and the n-octanol/water partition coefficient was established. The value of the partition coefficient was determined to be 2.82 at 23 °C (reference 4.7-1).
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