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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 807-422-1 | CAS number: 66918-01-2
- 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
- Study period:
- July 2007 - March 2008
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 008
- Report date:
- 2008
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- 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:
- 1,4-bis[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctyl] 2-hydroxybutanedioate
- EC Number:
- 807-422-1
- Cas Number:
- 66918-01-2
- Molecular formula:
- C40H78O5
- IUPAC Name:
- 1,4-bis[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctyl] 2-hydroxybutanedioate
- Details on test material:
- - Name of test material (as cited in study report): SALACOS 222
- Physical state: liquid
- Analytical purity: > 98%
- Lot/batch No.: 7-2-D
- Expiration date of the lot/batch: 04/10
- Stability under test conditions: stable
- Storage condition of test material: room temperature (20 +/- 5 °C)
Constituent 1
- Specific details on test material used for the study:
- Identification: SALACOS 222
Batch Number: 7-2-D
Purity: > 98%
Appearance: Liquid
Expiry Date: April 2010
Storage Conditions: At room temperature at about 20 °C
Molecular Weight: 639.065 g/mol
Preparation of the Test Solutions
About 23 mg of SALACOS 222 were dissolved in 2 mL solubilizer (acetone, ethanol and
tetrahydrofuran, respectively) and filled up to 100 mL with the respective buffer solution (pH 4.0,
pH 7.0 and pH 9.0). Each mixture was ultrasonified and submitted to a 0.2 μm filtration. To
obtain a test solution of not more than half the water solubility, 50 mL of the filtered solution
was diluted to 100 mL with the respective buffer. 5 mL of these solutions were evaporated to
dryness in a rotary evaporator. The residue was dissolved in 2 mL of tetrahydrofuran.
Aliquots of each test solution were measured using the analytical method as described later in
this report. - Radiolabelling:
- no
Study design
- Analytical monitoring:
- yes
- Details on sampling:
- 20 μL aliquots of each test solution at each pH value were analyzed without dilution
- Buffers:
- Buffer Solution pH 4.0
Biphthalate buffer, pH 4.00 ± 0.02 (25 °C), J.T. Baker, Art. No. 5657
Buffer Solution pH 7.0
Phosphate buffer, pH 7.00 ± 0.02 (25 °C), J.T. Baker, Art. No. 5656
Buffer Solution pH 9.0
Borate/Potassium chloride/NaOH buffer, pH 9.00 ± 0.02 (20 °C), J.T. Baker, Art. No. 7145
Rationale: The test system and test method are recommended by international guidelines.
HPLC-Conditions
Apparatus: Merck-Hitachi autosampler L-7200
Merck-Hitachi pump L-6200
Detector ELSD (Low Temperature Evaporative Light Scattering
Detector), Oven Temperature: 60 °C, Gain 7
Column: Mini Mixed E PLGEL; 250 x 4.6 mm; 3 μm
Eluent: Tetrahydrofuran
Temperature: Room temperature
Injection Volume: 20 μL
Flow: 0.5 mL/min
Run Time: 15 minutes
Retention Time
of SALACOS 222: Approx. 4.8 minutes under these HPLC-conditions - Estimation method (if used):
- Model Calculation (QSAR) of the Partition Coefficient (n-Octanol /
Water) and the Water Solubility
For the determination of the hydrolysis behavior of a test item a suitable that means a sufficient
sensitive analytical method must be available. For SALACOS 222 this is not the case. Therefore
no main test could be performed as described in the guidelines and in accordance with the RCC
Ltd Standard Operating Procedures.
To give an idea oft the low water solubility the value was calculated using a model calculation as
given later in this report. For the calculation the partition coefficient (n-octanol/water) was used.
Calculation of the Partition Coefficient (n-Octanol / Water)
The log POW of the test item was estimated by a calculation method1 based on the theoretical
fragmentation of the molecule into substructures for which reliable log POW increments are
known. The log POW is obtained by summing the fragment values and the correction terms for
intramolecular interactions. Details of the fragmentation and the calculation are given in the
attached table. The estimated value was 15.4904. - Details on test conditions:
- According to the guidelines, the following tests were performed.
The solubility of SALACOS 222 in the buffer solutions pH 4.0, pH 7.0 and pH 9.0 is very low,
therefore a test with different solubilizers was performed to increase the solubility of
SALACOS 222. Aliquots of each test solution were measured using the analytical method as
described later in this report.
- Number of replicates:
- not applicable (see any other information on materials and methods section)
- Positive controls:
- not specified
- Negative controls:
- not specified
- Statistical methods:
- none
Results and discussion
- Preliminary study:
- The solubility of SALACOS 222 in the buffer solutions pH 4.0, pH 7.0 and pH 9.0 was very low.
It was not possible to increase the solubility of the test item with the use of different solubilizers
(acetone, ethanol and tetrahydrofuran). Peaks obtained, if any, were too small to allow
quantification or even to follow a degradation curve. The calculation of the water solubility at
25 °C, based on the molecule structure of SALACOS 222 result in 1.7 · 10-11 mg/L.
According to the EEC Directive 92/69, Section C.7, the method is applicable only to water
soluble substances. The test item shows no significant solubility in the different solvent systems.
Therefore, no further testing could be performed with SALACOS 222 at pH 4.0, pH 7.0 and
pH 9.0. Additionally, no sensitive analytic method was available.
Therefore, no hydrolyze testing could be performed with SALACOS 222 at different pH values. - Transformation products:
- not measured
Dissipation DT50 of parent compound
- Key result
- Remarks on result:
- not determinable because of methodological limitations
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The solubility of SALACOS 222 in the buffer solutions pH 4.0, pH 7.0 and pH 9.0 was too low
to allow quantification or even to follow a degradation curve. The test item shows no significant
solubility in the different solvent systems (acetone, ethanol and tetrahydrofuran). Therefore, no
further testing could be performed with SALACOS 222 at pH 4.0, pH 7.0 and pH 9.0.
Additionally, no sensitive analytic method was available. - Executive summary:
The solubility of SALACOS 222 in the buffer solution pH 4.0, pH 7.0 and pH 9.0 was very low.
It was not possible to increase the solubility of the test item with the use of a solubilizer (acetone,
ethanol and tetrahydrofuran). Peaks obtained, if any were too small to allow quantification or
even to follow degradation. Additionally, no sensitive analytic method was available.
According to the EEC Directive 92/69, Section C.7, the method is applicable only to water
soluble substances. The test item shows no significant solubility in the different solvent systems.
Therefore, no further testing could be performed with SALACOS 222 at pH 4.0, pH 7.0 and
pH 9.0.
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.