Registration Dossier
Registration Dossier
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EC number: 204-104-9 | CAS number: 115-77-5
Endpoint summary
Administrative data
Description of key information
Additional information
Appearance
At ambient temperature and pressure, Pentaerythritol is a white solid, crystalline powder with a mild odour (Analytical Chemistry, Perstorp Holding AB, 2009).
Melting point
The value for the melting point was determined in an experimental study performed according to OECD guideline 102 (Analytical Chemistry, Perstorp Holding AB, 2009). The melting point of Pentaerythritol was found to be 532 K (258.4 °C)
Boiling point
The value for the boiling point was determined in an experimental study performed according to in-house testing method ASTM E 537-02 (Analytical Chemistry, Perstorp Holding AB, 2009).The boiling point of Pentaerythritol was found to be 642 K (369 °C)
Density
The value for the relative density was determined in an experimental study performed according to Liquid pycnometer method for solids (ISO 1183-1) . The density of Pentaerythritol was found to be 1.37 at 20°C (relative to water at 4°C)
Granulometry
The particle size distribution was analysed according to ISO 13320 method(Particle size analysis - Laser diffraction methods).
Inhalable fraction (< 100 µm) for Pentaerythritol and Charmor PM15 was found to be 8.6% and 100% respectively.(Analytical Chemistry, Perstorp AB, 2009)
Vapour pressure
Since the vapour pressure is low with both calculation methods (SPARC and MPBPWIN), Pentaerythritol is not likely to vapourise and become airborne. The highest calculatated value is 0.000015 Pa (Analytical Chemistry, Perstorp Holding AB, 2009).
Partition coefficient
The value for partition coefficient was determined in an experimental study performed according to Shake-flask method (OECD guideline 107). The partition coefficient (Log Pow) of Pentaerythritol was found to be -1.7 at 22 °C (Analytical Chemistry, Perstorp Holding AB, 2009).
Water solubility
The value for water solubility was determined in an experimental study performed according to Shake-flask method (OECD guideline 105) . The water solubility of Pentaerythritol was found to be 62 g Pentaerythritol/l at 20 °C (Analytical Chemistry, Perstorp Holding AB, 2009).
Surface tension
The value for the surface tension was determined in an experimental study performed accroding to Pendant drop, Perstorp A1577 method (correlates well to OECD 115). The surface tension of Pentaerythritol was found to be 71 mN/m at 20 °C (Analytical Chemistry, Perstorp Holding AB, 2009).
Flash point
According to "Endpoint specific guidance R.7.1.9.1" flash point does not need to be determined on solids.
Autoflammability
The test for auto-flammability was carried out according to EU Method A.16 (Relative Self-Ignition Temperature for Solids) guideline. Pentaerythritol was observed not to self-ignite below 400 °C. (Analytical Chemistry, Perstorp Holding AB, 2009).
Flammability
The test for flammability was carried out according to EU Method A.10 (Flammability (Solids)) guideline.The substance melted but did not burn when applying the gas burner for two minutes so only the preliminary test was performed. Pentaerythritol (Charmor PM15) was found to be non- flammable (Analytical Chemistry, Perstorp Holding AB, 2009).
Explosiveness
Examination of the structure according to guideline "Endpoint specific guidance R.7.1.11" indicates that there are no groups associated with explosive properties. Therefore, negative results can be predicted and no testing for explosive properties has been carried out.
Oxidising properties
Due to the structural composition of the substance it is not considered to be oxidising. According to “Endpoint specific guidance R.7.1.13.4 no experimental testing has to be conducted if the substance due to structural composition is considered not to be oxidising.
Stability in organic solvents
The stability in organic solvents is not considered critical to ensure confidence in other test results for other endpoints. Therefore testing is not needed to be conducted according to “Endpoint specific guidance R.7.1.16”.
Dissociation constant
The calculation program SPARC has been used for the prediction and gave the result pKa 147.4 which indicates that the substance is not an ionisable compound. According to “Endpoint specific guidance R.7.1.17.1” the dissociation constant does not have to be conducted for substances that lack ionisable functional groups.
Viscosity
According to “Endpoint specific guidance R.7.1.18.4” viscosity determination is not required for solids.
Additional physico-chemical information
Pentaerythritol Mono (standard product) is specified as "normally ignitable" and Pentaerythritol micronized is specified as "especially ignitable" (IBExU Institut fur Sicherheitstechnik GmbH, Perstorp Specialty Chemicals AB, 2008).
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