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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
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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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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.
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