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EC number: 935-721-8 | CAS number: -
- 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
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP study according to guidelines
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Deviations:
- yes
- Remarks:
- The test was performed at one temperature and pH value only (tier 2) and no identification of hydrolysis products was attempted.
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
- GLP compliance:
- yes (incl. QA statement)
Test material
- Reference substance name:
- (1-phenylethyl)-phenyloxymethyloxirane
- IUPAC Name:
- (1-phenylethyl)-phenyloxymethyloxirane
- Reference substance name:
- Phenol, styrenated, epoxidized
- EC Number:
- 935-721-8
- Molecular formula:
- not applicable
- IUPAC Name:
- Phenol, styrenated, epoxidized
- Test material form:
- other: yellow liquid
- Details on test material:
- - Name of test material (as cited in study report): LR 600, (1-phenylethyl)-phenyloxymethyloxirane
- Molecular formula (if other than submission substance):
- Molecular weight (if other than submission substance): mixture
- Smiles notation (if other than submission substance):
- InChl (if other than submission substance):
- Structural formula attached as image file (if other than submission substance): see Fig.
- Substance type: organic
- Physical state: liquid
- Analytical purity:
- Impurities (identity and concentrations):
- Composition of test material, percentage of components:
- Isomers composition:
- Purity test date:
- Lot/batch No.:
- Expiration date of the lot/batch:
- Radiochemical purity (if radiolabelling):
- Specific activity (if radiolabelling):
- Locations of the label (if radiolabelling):
- Expiration date of radiochemical substance (if radiolabelling):
- Stability under test conditions:
- Storage condition of test material: The test item was kept at room temperature: (20 ± 5 °C); in a tightly closed vessel in the dark
- Other:
Constituent 1
Constituent 2
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
PHYSICO-CHEMICAL PROPERTIES
- Vapour pressure:
- Water solubility: H2O: approx. 10 mg/L (see LAUS Study No. 12060103G910, 22 Nov. 2012)
- log Pow: 4.0 / 4.0 / 5.8 (3 main components: see LAUS Study No.12060103G930, 19 Oct. 2012)
- pKa:
- Base or acid catalysis of test material:
- UV absorption:
- Stability of test material at room temperature:
OTHER PROPERTIES (if relevant for this endpoint) - Radiolabelling:
- no
Study design
- Analytical monitoring:
- yes
- Details on sampling:
- 20 mL of a solution in medium was extracted with 2 mL iso-octane and the upper phase was measured via GC/FID. Tenfold enrichment was achieved.
On days 11, 15 and 21, 50 mL of a solution in medium was extracted with 2 mL iso-octane and the upper phase was measured via GC/FID. 25-fold
enrichment was achieved. - Buffers:
- - For the preparation of the solution of the test item and of the buffer solutions deionised water was used.
- Buffer compositions were taken from the annex of the OECD method (buffer solutions 7 and 9) or Küster et al. (buffer solution 4).
- pH: 4.0, 7.0, and 9.0 (adjusted to the nominal pH value ± 0.02 units)
- Buffer solutions were filtrated (0.2 µm) after preparation, resulting in sterile solutions.
Duration of testopen allclose all
- Duration:
- 5 d
- Duration:
- 21 d
- pH:
- 7
- Number of replicates:
- Tier 1: 3 replicates per pH
Tier 2: 18 (two replicates per sampling point) - Positive controls:
- not specified
- Negative controls:
- not specified
Results and discussion
- Transformation products:
- not measured
Total recovery of test substance (in %)open allclose all
- % Recovery:
- < 10
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- 5 d
- % Recovery:
- < 10
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 5 d
- % Recovery:
- < 10
- pH:
- 9
- Temp.:
- 50 °C
- Duration:
- 5 d
- % Recovery:
- 21.9
- pH:
- 7
- Temp.:
- 25 °C
- Duration:
- ca. 21 d
Dissipation DT50 of parent compoundopen allclose all
- pH:
- 7
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.091 d-1
- DT50:
- ca. 9.5 d
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Values resulting from area sum of the two main components
- pH:
- 7
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.046 d-1
- DT50:
- ca. 15 d
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Component 1
- pH:
- 7
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.101 d-1
- DT50:
- ca. 7 d
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Component 2
- Other kinetic parameters:
- see table below
- Details on results:
- TEST CONDITIONS
- pH, sterility, temperature, and other experimental conditions maintained throughout the study: Yes
PATHWAYS OF HYDROLYSIS: not analysed
Any other information on results incl. tables
The tables below are excerpted from the original report
Tier 1: Measured Concentrations
Parameter |
pH 4.0 |
pH 7.0 |
pH 9.0 |
Area Sum Mean 0 h |
311.07 |
280.25 |
289.22 |
Area blank |
- |
- |
- |
Area Sum 120 h Mean |
- not evaluable |
||
Area 120 h blank |
not measured |
- |
- |
Residue |
< 10 % |
< 10 % |
< 10 % |
Tier 2: Area Sum on Day 0 at pH 7 and 25 °C
Sampling Time [h] |
Replicate 1 |
Replicate 2 |
Replicate 3 |
|||
Analysis 1 [pA*s] |
Analysis 2 [pA*s] |
Analysis 1 [pA*s] |
Analysis 2 [pA*s] |
Analysis 1 [pA*s] |
Analysis 2 [pA*s] |
|
0 |
244.65 |
237.31 |
245.88 |
249.29 |
240.34 |
237.61 |
Sampling Time [h] |
Replicate 1 |
Replicate 2 |
||
Analysis 1 [pA*s] |
Analysis 2 [pA*s] |
Analysis 1 [pA*s] |
Analysis 2 [pA*s] |
|
24.05 |
218.50 |
212.43 |
211.61 |
217.12 |
48.07 |
176.27 |
168.41 |
173.26 |
179.41 |
66.35 |
156.20 |
159.65 |
156.34 |
163.57 |
90.22 |
123.85 |
142.80 |
144.52 |
140.36 |
162.75 |
97.61 |
105.76 |
99.48 |
104.35 |
258.30* |
161.64 |
168.10 |
171.80 |
179.17 |
354.30 |
118.80 |
122.39 |
117.42 |
114.18 |
501.02 |
58.29 |
60.04 |
63.84 |
63.53 |
*from day 11 (258.30 h) on 25fold enrichment was used, instead of 10fold.
The area ratio (FID-peaks) of two main components in the test item changed during the test: from 36 : 64 to 65 : 35.
That implies that the hydrolysis of the second component had taken place faster than hydrolysis of the first component.
From the area ratio of two main components following kinetic parameters were determined for each constituent (excerpt from original report):
Parameter |
Value Component 1 |
Value Component 2 |
kobs(25°C; pH 7.0) |
0.001933 h-1 |
0.004189 h-1 |
t1/2(25°C; pH 7.0) |
358.6 h |
165.5 h |
t1/2(25°C; pH 7.0) |
14.94 d |
6.89 d |
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- Tier 1: After five days (120 hours), the areas of the test item were lower than 10% of the start area at all three pH values.
The test item can be considered as hydrolytically instable at all pH values.
Tier 2:Temperature dependency and acid/base catalysis of the hydrolysis constants was not determinable as the test was performed at one single temperature ( 25 °C) and one pH value pH 7) only.
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