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EC number: 221-453-2 | CAS number: 3101-60-8
- 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: The study was conducted according to the O.E.C.D. test guideline 111 with GLP compliance.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Deviations:
- no
- GLP compliance:
- yes
Test material
- Reference substance name:
- p-tert-butylphenyl 1-(2,3-epoxy)propyl ether
- EC Number:
- 221-453-2
- EC Name:
- p-tert-butylphenyl 1-(2,3-epoxy)propyl ether
- Cas Number:
- 3101-60-8
- Molecular formula:
- C13H18O2
- IUPAC Name:
- 2-[(4-tert-butylphenoxy)methyl]oxirane
- Reference substance name:
- p-tert-butylphenyl-1-(2,3)-epoxypropyl ether
- IUPAC Name:
- p-tert-butylphenyl-1-(2,3)-epoxypropyl ether
- Reference substance name:
- Oxirane, 2-((4-(1,1-dimethylethyl)phenoxy)methyl)-
- IUPAC Name:
- Oxirane, 2-((4-(1,1-dimethylethyl)phenoxy)methyl)-
- Test material form:
- other: Liquid at room temperature.
- Details on test material:
- As per IUCLID5 Sections 1.1. 1.2. and 4.1.
Constituent 1
Constituent 2
Constituent 3
- Radiolabelling:
- no
Study design
- Analytical monitoring:
- yes
- Details on sampling:
- At least six time points were chosen depending on temperature for each of the pH levels 4.0, 7.0, and 9.0 at 12.5°C, 25°C and 50°C.
- Buffers:
- All buffer solutions for 12.5°C and 25°C were sonicated for 10 minutes after adding appropriate contents into its respective container and stored in an incubator set at 25°C. The pH 4.0 buffer solution was prepared by adding 4.0 mL of 0.1 N NaOH solution and 500 mL of 0.1 M KHP solution into a 1000 mL bottle and filling the bottle to volume with water. The pH 7.0 buffer solution was prepared by adding approximately 296 mL of 0.1 N NaOH solution and 500 mL of 0,1 M KH2PO4 solution into a 1000 mL bottle and filling the bottle to volume with water. The pH 9.0 buffer solution was prepared by adding 213 mL of 0.1 N NaOH solution and 500 mL of 0. 1M H3B03 solution into a 1000 mL bottle and filling the bottle to volume with water. All buffer solutions for 50°C were sonicated for 10 minutes after adding appropriate contents into its respective container and stored in an incubator set at 20°C. The pH 4.0 buffer solution was prepared by adding 1.2 mL of 0.1 N NaOH solution and 150 mL of 0.1 M KHP solution into a 300 mL bottle and filling the bottle to volume with water. The pH 7.0 buffer solution was prepared by adding approximately 89 mL of 0.1 N NaOH solution and 150 mL of 0.1 M KH2PO4 solution into a 300 mL bottle and filling the bottle to volume with water. The pH 9.0 buffer solution was prepared by approximately 64 mL of 0.1 N NaOH solution and 150 mL of 0. 1M H3B03 solution into a 300 mL bottle and filling the bottle to volume with water.
- Estimation method (if used):
- The half-life was determined by assuming first order kinetics. The calculation was performed as follows:
t1/2- 0.693 /kobs
kobs = 2.303 / (t) log lo (C0/Ct)
Where
t half-life of the reaction in hours
kobs - the calculated rate constant
C0 - observed concentration at time (0)
- observed concentration at time (t) - Details on test conditions:
- At least six time points in duplicate chosen for each of the pH levels 4.0, 7.0, and 9.0 at 12.5°C, 25°C and 50°C. The time points for 12.5°C were, 48, 96, 144, 192, 240 and 288 hrs. The 25°C time points were, 24, 48, 72, 96, 120 and 144 hrs. The sampling times for the 50°C. incubation were, 1, 2, 3, 4, 5 and 6 hrs.
Duration of testopen allclose all
- Duration:
- 6 h
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 144 h
- pH:
- 7
- Temp.:
- 25 °C
- Duration:
- 288 h
- pH:
- 7
- Temp.:
- 12.5 °C
- Number of replicates:
- 2
- Positive controls:
- no
- Negative controls:
- no
- Statistical methods:
- No data
Results and discussion
- Transformation products:
- not measured
Dissipation DT50 of parent compoundopen allclose all
- pH:
- 4
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- ca. 0.022 s-1
- DT50:
- ca. 7.98 d
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 7
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- ca. 0.491 s-1
- DT50:
- ca. 17 d
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 9
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- ca. 0.03 s-1
- DT50:
- ca. 10.8 d
- Type:
- (pseudo-)first order (= half-life)
- Details on results:
- pH 4 pH7 pH9
ti/2 - Days 7.98 17.0 10.8
________________________________________________
At 25°C
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The test substance has an aqueous half-life of approximately 17 days at pH 7 and ambient environmental temperature of 25°C. Under acidic (pH 4) and alkaline (pH 9) conditions the half-life was reduced up to approximately 50%.
- Executive summary:
The test substance, p-tert-butylphenyl-1 -(2,3)-epoxypropyl ether was accessed for hydrolysis at different pHs in an O.E.C.D. test guideline 111 study with HPLC detection. The test substance has an aqueous half-life of approximately 17 days at pH 7 and ambient environmental temperature of 25°C. Under acidic (pH 4) and alkaline (pH 9) conditions the half-life was reduced up to approximately 50%.
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