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EC number: 261-675-7 | CAS number: 59231-37-7
- 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
Surface tension
Administrative data
- Endpoint:
- surface tension
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 12/4/2017 to 3/1/2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 115 (Surface Tension of Aqueous Solutions)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- ring method
Test material
- Reference substance name:
- Isotridecyl 3,5,5-trimethylhexanoate
- EC Number:
- 261-675-7
- EC Name:
- Isotridecyl 3,5,5-trimethylhexanoate
- Cas Number:
- 59231-37-7
- Molecular formula:
- C22H44O2
- IUPAC Name:
- isotridecyl 3,5,5-trimethylhexanoate
- Test material form:
- liquid
1
- Specific details on test material used for the study:
- The test substance, Isotridecyl 3,5,5-Trimethylhexanoate was allocated the code ESTS 67/17
for reference throughout the study.
Name: Isotridecyl 3,5,5-Trimethylhexanoate
CAS number: 59231-37-7
EC number: 261-675-7
Physical state: Clear colourless liquid
Sponsor lot number: P7639
Purity: Assumed to be 100%*
Molecular weight: 340.59
Arrival date: 1 March 2017
Expiry date: 1 December 2018
Storage conditions: Room temperature (15 to 30°C)
* No supporting information supplied.
Analytical Procedure
The procedure, SMV (PC) 3201859-01V, for determining the content of Isotridecyl 3,5,5Trimethylhexanoate in double-distilled water was developed in this study. The method used was Gas chromatography (GC) with flame ionisation detection (FID). A summary of the analytical procedure is shown in Appendix 2.
The method was assessed against the criteria detailed in the following sections:
Specificity
Blank solutions were prepared and run with the rest of the validation samples, to assess freedom from any interfering (co-chromatographic) peaks.
Sensitivity
The limit of quantification (LOQ) was described as the lowest fortification level where acceptable precision and accuracy data were obtained.
Linearity
The analytical calibration covered a range appropriate for the anticipated concentration of Isotridecyl 3,5,5-Trimethylhexanoate in double-distilled water. The linearity of detector response for standard solutions over the concentration range (minimum of five different concentrations) was determined by least squares linear regression with a 1/x weighting.
Accuracy and Precision (Repeatability)
For procedure SMV (PC) 3201859-01V, the accuracy and precision of the analysis was determined by analysis of five replicates of prepared sample solutions. The sample solutions were prepared at the following concentrations 1, 10 and 100 µg/mL by spiking into double-distilled water from a stock solution of Isotridecyl 3,5,5-Trimethylhexanoate in acetone. The solutions were super saturated with sodium chloride (0.4 g/mL) and then extracted with hexane, centrifuged a speed setting of 2500 rpm for 5 minutes and the hexane layer analysed. The volume of hexane chosen was such that the concentration was within the calibration line.
Acceptance criteria (SANCO/3029/99 rev. 4.) Accuracy (recovery)
The mean recovery values should be within 70 to 110% (ideally with the mean in the range 80 to 100%).
A suitable test for outliers may be applied to the accuracy data, for example the Grubbs or Dixons Tests.
Precision (repeatability)
The precision percent relative standard deviation (%RSD) should be ≤ 20%.
Results and discussion
Surface tension
- Key result
- Remarks on result:
- not determinable
Any other information on results incl. tables
No definitive test was performed because the water solubility could not be determined and further water solubility testing involved vigorous mixing therefore producing no useable samples.
A part of the slow stir test an abbreviated test was performed, consisting of three determinations at 20°C. The mean surface tension of double-distilled water was found to be 73 mN/m, the control was 73 mN/m and a sample from Vessel 1 (diluted to 90% with double-distilled water) from the slow stir test was 72.5 mN/m. This would suggest that Isotridecyl 3,5,5-Trimethylhexanoate was not present in the water solubility sample.
Applicant's summary and conclusion
- Conclusions:
- Surface tension OECD 115 Not technically possible
No definitive test was performed because the water solubility could not be determined and further water solubility testing involved vigorous mixing therefore producing no useable samples.
A part of the slow stir test an abbreviated test was performed, consisting of three determinations at 20°C. The mean surface tension of double-distilled water was found to be 73 mN/m, the control was 73 mN/m and a sample from Vessel 1 (diluted to 90% with double-distilled water) from the slow stir test was 72.5 mN/m. This would suggest that Isotridecyl 3,5,5-Trimethylhexanoate was not present in the water solubility sample. - Executive summary:
Surface tension OECD 115 Not technically possible.
No definitive test was performed because the water solubility could not be determined and further water solubility testing involved vigorous mixing therefore producing no useable samples.
A part of the slow stir test an abbreviated test was performed, consisting of three determinations at 20°C. The mean surface tension of double-distilled water was found to be 73 mN/m, the control was 73 mN/m and a sample from Vessel 1 (diluted to 90% with double-distilled water) from the slow stir test was 72.5 mN/m. This would suggest that Isotridecyl 3,5,5-Trimethylhexanoate was not present in the water solubility sample.
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