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Diss Factsheets
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EC number: 945-746-6 | 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
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- February, March 2009
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Remarks:
- This study was not performed according to international guideline and is not GLP as this is a standard company internal data conducted for global knowledge. This study is well documented and is considered reliable with restrictions.
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The aim of the study is to assess the stability of the substance in a series of simple media simulating perfumery applications. The test media are standard aqueous buffers at pH 2, pH 5, pH 7, pH 8.5 and pH 12 containing 1 % of non ionic surfactant. The tests are done in accelerated conditions at 40°C during ca. one month.
- GLP compliance:
- no
- Remarks:
- Standard company internal data measurements conducted for global knowledge.
- Specific details on test material used for the study:
- No additional information
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- 200 – 300 ppm of raw material are dissolved in the pH buffer containing the surfactant (Arkopal N 150) and put into storage in an oven at 40°C. Small aliquots of the test solution are extracted with an organic solvent (typically cyclohexane or ethyl acetate) containing a hydrocarbon standard (typically C12, C17 or C20) on a regular basis throughout the test (typically at time = 0, 0.25, 1, 2, 4, 7, 15, 21 and 28 days). The extracts are analyzed by GC-FID and the results are plotted as (Area/Area Std) expressed in [%]. The measurement at time = 0 is set at 100% and the succeeding measurements are calculated relatively to the time = 0 measurement. Therefore the curves represent the percentage of product remaining in the test solution at the time of analysis.
- Buffers:
- Buffer solutions:
pH 2 (± 0.1) buffer: Reference Handbook of Chemistry and Physics buffer type A
pH 5 (± 0.1) buffer: Reference Handbook of Chemistry and Physics buffer type C
pH 7 (± 0.1) buffer: Reference Handbook of Chemistry and Physics buffer type D
pH 8.5 (± 0.1) buffer: Reference Handbook of Chemistry and Physics buffer type F
pH 12 (± 0.1) buffer: Reference Handbook of Chemistry and Physics buffer type I - Estimation method (if used):
- Not applicable
- Details on test conditions:
- No data
- Duration:
- 28 d
- pH:
- 2
- Temp.:
- 40 °C
- Initial conc. measured:
- > 200 - < 300 other: ppm
- Duration:
- 28 d
- pH:
- 5
- Temp.:
- 40 °C
- Initial conc. measured:
- > 200 - < 300 other: ppm
- Duration:
- 28 d
- pH:
- 7
- Temp.:
- 40 °C
- Initial conc. measured:
- > 200 - < 300 other: ppm
- Duration:
- 28 d
- pH:
- 8.5
- Temp.:
- 40 °C
- Initial conc. measured:
- > 200 - < 300 other: ppm
- Duration:
- 28 d
- pH:
- 12
- Temp.:
- 40 °C
- Initial conc. measured:
- > 200 - < 300 other: ppm
- Number of replicates:
- 1 for each pH.
- Positive controls:
- no
- Negative controls:
- no
- Statistical methods:
- None
- Preliminary study:
- None
- Test performance:
- No data
- Transformation products:
- no
- Details on hydrolysis and appearance of transformation product(s):
- Results showed that the disappearance of the parent compound after 5 days is less than 10% at any pH (from 5 to 12) at 40 °C. It can be concluded that under the conditions of the present test and at pH from 5 to 12, test substance is hydrolytically stable (as defined in the OECD TG 111 for hydrolysis as a function of pH). Under very acidic conditions pH (pH 2), the test substance hydrolyses very rapidly and disappears up to 100% in the first minutes. After 28 days, at pH 5, the test substance disappeared up to 50% but was stable at environmentally relevant pH (7 and 8.5) at 40°C and also under very basic conditions (pH 12).
- % Recovery:
- ca. 0
- pH:
- 2
- Temp.:
- 40 °C
- Duration:
- ca. 5 d
- Remarks on result:
- other: The test substance hydrolyses very rapidly and disappears up to 100% in the first minutes.
- % Recovery:
- > 90
- pH:
- 5
- Temp.:
- 40 °C
- Duration:
- 5 d
- % Recovery:
- ca. 50
- pH:
- 5
- Temp.:
- 40 °C
- Duration:
- 28 d
- % Recovery:
- > 90
- pH:
- 7
- Temp.:
- 40 °C
- Duration:
- ca. 5 - ca. 28 d
- % Recovery:
- > 90
- pH:
- 8.5
- Temp.:
- 40 °C
- Duration:
- ca. 5 - ca. 28 d
- % Recovery:
- > 90
- pH:
- 12
- Temp.:
- 40 °C
- Duration:
- ca. 5 - ca. 28 d
- Remarks on result:
- not measured/tested
- Other kinetic parameters:
- None
- Details on results:
- No additional information
- Validity criteria fulfilled:
- yes
- Conclusions:
- The disappearance of the parent compound after 5 days is less than 10% at any pH (from 5 to 12) at 40 °C. It can be concluded that under the conditions of the present test and at pH from 5 to 12, test substance is hydrolytically stable (as defined in the OECD TG 111 for hydrolysis as a function of pH). Under very acidic conditions pH (pH 2), the test substance hydrolyses very rapidly and disappears up to 100% in the first minutes. After 28 days, at pH 5, the test substance disappeared up to 50% but was stable at environmentally relevant pH (7 and 8.5) at 40°C and also under very basic conditions (pH 12).
- Executive summary:
This hydrolysis study was not performed according to international guideline and is not GLP as this is a standard company internal data conducted for global knowledge. The aim of the study is to assess the stability of the substance in a series of simple media simulating perfumery applications. The test media are standard aqueous buffers at pH 2, pH 5, pH 7, pH 8.5 and pH 12 containing 1% of non ionic surfactant (Arkopal N 150). The tests are done in accelerated conditions at 40 °C during ca. one month.
200 – 300 ppm of raw material are dissolved in the pH buffer containing the surfactant (Arkopal N 150) and put into storage in an oven at 40°C. Small aliquots of the test solution are extracted with an organic solvent (typically cyclohexane or ethyl acetate) containing a hydrocarbon standard (typically C12, C17 or C20) on a regular basis throughout the test (typically at time = 0, 0.25, 1, 2, 4, 7, 15, 21 and 28 days). The extracts are analyzed by GC-FID and the results are plotted as (Area/Area Std) expressed in [%]. The measurement at time = 0 is set at 100% and the succeeding measurements are calculated relatively to the time = 0 measurement. Therefore the curves represent the percentage of product remaining in the test solution at the time of analysis.
The disappearance of the parent compound after 5 days is less than 10% at any pH (from 5 to 12) at 40 °C. It can be concluded that under the conditions of the present test and at pH from 5 to 12, test substance is hydrolytically stable (as defined in the OECD TG 111 for hydrolysis as a function of pH). Under very acidic conditions pH (pH 2), the test substance hydrolyses very rapidly and disappears up to 100% in the first minutes. After 28 days, at pH 5, the test substance disappeared up to 50% but was stable at environmentally relevant pH (7 and 8.5) at 40°C and also under very basic conditions (pH 12).
Reference
None
Description of key information
Weight of evidence approach:
The registered substance is hydrolytically stable at pH from 5 to 12 but unstable at pH lower than 5.
The registered substance is a macrocyclic compound containing three potentially acid sensitive functionalities:
- The epoxide function of a trisubtituted double bond: in acidic conditions and already at pH 5, the epoxide could open up generating an alcohol and a tertiary carbocation (stabilized intermediate) which could then be intercepted by water to form an alcohol. Globally the epoxide has been transformed to a diol.
- The two trisubstituted double bonds in the molecule: in acidic media an hydration reaction could take place and would lead to tertiary alcohol.
Therefore, the registered substance in acidic media will hydrolyze to give poly-hydroxylated product.
Key value for chemical safety assessment
Additional information
To assess the hydrolysis potential of the registered substance, a stability test and an expert statement was provided in the dossier.
The stability study was not performed according to international guideline and is not GLP as this is a standard company internal data conducted for global knowledge. The aim of the study is to assess the stability of the substance in a series of simple media simulating perfumery applications. The test media are standard aqueous buffers at pH 2, pH 5, pH 7, pH 8.5 and pH 12 containing 1% of non ionic surfactant (Arkopal N 150). The tests are done in accelerated conditions at 40 °C during ca. one month. According to this study, the disappearance of the parent compound after 5 days is less than 10% at any pH (from 5 to 12) at 40°
C. It can be concluded that under the conditions of the present test and at pH from 5 to 12, the registered substance is hydrolytically stable (as defined in the OECD TG 111 for hydrolysis as a function of pH). Under very acidic conditions pH (pH 2), the substance hydrolyses very rapidly and disappears up to 100% in the first minutes. After 28 days, at pH 5, the substance disappeared up to 50% but was stable at environmentally relevant pH (7 and 8.5) at 40°C and also under very basic conditions (pH 12).
Furthermore, according to an expert statement, the registered substance is a macrocyclic compound containing three potentially acid sensitive functionalities. The first one is an epoxide of a trisubstituted double bond. In acidic conditions and already at pH 5 this could open up generating an alcohol and a tertiary carbocation (stabilized intermediate) which could then be intercepted by water to form an alcohol. Globally the epoxide has been transformed to a diol. The second one is trisubstituted double bonds (two in this molecule). In acidic media an hydration reaction could take place and would lead to tertiary alcohol. From neutral to basic conditions epoxide and double bond are not likely to hydrolyze under such soft reaction conditions. As a conclusion, the registered substance in acidic media will hydrolyze to give poly-hydroxylated product (see attached picture).
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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.