Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 247-956-7 | CAS number: 26748-47-0
- 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
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Data waiving:
- study technically not feasible
- Justification for data waiving:
- other:
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 2000-10-31 to 2001-06-26
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: GLP guideline study for the investigation on the acute toxic effects to D. magna with additional experimental data regarding the potential water solubility of neodecanoic acid, a degradation product of 1-methyl-1-phenylethyl peroxyneodecanoate.
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Analytical determination of the concentration of neodecanoic acid - the degradation product of the peroxide 1-methyl-1-phenylethyl peroxyneodecanoate - at nominal peroxide concentrations of 0, 30.3, 40.8, 55, 74.9, and 99.7 mg/L by means of HPLC/MS.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: HPLC/MS
- Key result
- Water solubility:
- >= 41.11 mg/L
- Conc. based on:
- other: degradation product neodecanoic acid
- Remarks:
- concentration determined via internal standard (lauric acid) and expressed as lauric acid equivalents
- Loading of aqueous phase:
- 99.7 mg/L
- Incubation duration:
- 66 h
- Temp.:
- 19.5 °C
- Remarks on result:
- other: loading of aqueous phase refers to nominal peroxide concentration
- Conclusions:
- The water solubility of neodecanoic acid, the degradation product of 1-methyl-1-phenylethyl peroxyneodecanoate, is at least 41.1 mg/L at 19.5 °C.
- Executive summary:
1-methyl-1-phenylethyl peroxyneodecanoate is not stable in aqueous solutions at temperatures ≥ +10 °C (= SADT). Therefore, an analytical determination of the water solubility of the peroxide is technically not possible.
Thus, the decomposition product neodecanoic acid is the relevant molecule for the risk assessment.
Within the scope of acute toxicity testing to Daphnia magna according to OECD guideline 202, 1-methyl-1-phenylethyl peroxyneodecanoate (71.5 % in isododecane) was applied to test solutions at nominal concentrations of 0 (control), 3.9, 7.5, 16.0, 33.0 and 70.4 mg/L.
Actual concentrations of 1-methyl-1-phenylethyl peroxyneodecanoate and of the decomposition product neodecanoic acid were measured by HPLC/MS. Concentrations of 1 -methyl-1 -phenylethyl peroxyneodecanoate were below the LOD of 70 µg/L already at the start of the test (t= 0 h). The concentration of neodecanoic acid was stable during the total test duration of 48 h. The maximum measured concentration of neodecanoic acid from test solutions with the highest nominal 1 -methyl-1 -phenylethyl peroxyneodecanoate loading of 99.7 mg/L was 41.11 mg/L. Therefore, it is concluded that the water solubility of neodecanoic acid is at least 41.11 mg/L (at 19.5 °C).
Referenceopen allclose all
Description of key information
Determination of the water solubility of 1-methyl-1-phenylethyl peroxyneodecanoate according to OECD guideline 105 is technically not possible because the substance decomposes during testing (SADT +10 °C).
Thus, the decomposition product neodecanoic acid is the relevant molecule for the risk assessment.
Within the scope of toxicity testing according to OECD guideline 202, actual concentrations of 1-methyl-1-phenylethyl peroxyneodecanoate (71.5 % in isododecane) and neodecanoic acid were measured at start (t= 0 h) and end of the test (t= 48 h) by means of HPLC/MS. While expectedly 1-methyl-1-phenylethyl peroxyneodecanoate was not present in the test solutions already at the start of the test, the maximum measured concentration of neodecanoic acid from test solutions with the highest nominal loading of 99.7 mg 1-methyl-1-phenylethyl peroxyneodecanoate per litre was 41.11 mg/L. Therefore, it is concluded that the water solubility of neodecanoic acid is at least 41.11 mg/L (at 19.5 °C).
As a value for water solubility is required for exposure calculations, the value of 41.11 mg/L for the decomposition product neodecanoic acid is included as key value for chemical safety assessment.
Key value for chemical safety assessment
- Water solubility:
- 41.11 mg/L
- at the temperature of:
- 19.5 °C
Additional information
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.