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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
Flammability
Administrative data
Link to relevant study record(s)
- Endpoint:
- substances / mixtures which in contact with water emit flammable gases
- 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
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.12 (Flammability (Contact with Water))
- Version / remarks:
- 2008
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- 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%. - Key result
- Test procedure:
- step 1
- step 2
- step 3
- step 4
- Max. rate of gas release:
- 0 L/kg min
- Identity of evolved gas:
- not applicable as no gas evolved
- Remarks on result:
- no reaction with water observed
- Interpretation of results:
- not classified based on GHS criteria
- Conclusions:
- The test material was found to be non-flammable in contact with water and did not emit flammable gases in contact with water under the conditions of the test.
- Executive summary:
In this guideline (EU A.12) study, conducted with GLP certification, the test material was found to be non-flammable in contact with water and did not emit flammable gases in contact with water under the conditions of the test.
- Endpoint:
- pyrophoric liquids
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 12 April 2017 to 3 January 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.13 (Pyrophoric Properties of Solids and Liquids)
- Version / remarks:
- 2008
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- 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%. - Key result
- Test procedure:
- effect on filter paper
- Remarks on result:
- no charring
- Interpretation of results:
- not classified based on GHS criteria
- Conclusions:
- No ignition or charring of the filter paper was observed.
- Executive summary:
This test determines whether a substance will ignite spontaneously after coming in contact with air for a short period of time at room temperature. The guideline followed was Regulation (EC) No. 440/2008 method A13.
No ignition or charring of the filter paper was observed.
- Endpoint:
- flammable liquids: obsolete as covered by section 'Flash point'
- Data waiving:
- study technically not feasible
- Justification for data waiving:
- the study does not need to be conducted because the substance is a liquid
Referenceopen allclose all
No ignition was observed and no gas was given off on tests 1, 2 and 3.
For tests 1 and 2 droplets of test substance formed on the surface of the water. For test 3 water droplets formed at the bottom of the vessel.
There was no gas evolved and no ignition occurred on Test 4.The test substance and the water formed separate layers in the test flask.
Therefore Isotridecyl 3,5,5-Trimethylhexanoate was not considered flammable in contact with water.
No ignition or charring of the filter paper was observed.
Description of key information
Study conducted to recognised testing guidelines with GLP certification.
Key value for chemical safety assessment
- Flammability:
- not classified
Additional information
Justification for classification or non-classification
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.
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