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Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Additional information

Property Results Value used for CSA / Discussion
Physical state at 20°C and 1013 hPa The substance is a yellow/brown solid at room temperature Value used for CSA:solid
A reliability rating of 1 was assigned to the key study, according to the criteria of Klimisch, 1997 as the study was conducted in accordance with recognised guidelines and GLP.
Melting / freezing point In an in-house study conducted in accordance with OECD guideline 102 using differential scanning calorimetry, the substance's melting range was determined to be 39.74°C to 41.94°C. Value used for CSA= 39.74°C
A reliability rating of 2 was assigned to the key study, according to the criteria of Klimisch, 1997 as the study was conducted to the appropriate OECD guideline although not to GLP, however certain details are not reported in the study report although this is considered not to affect the quality of the relevant results.
Boiling point In an in-house study conducted in accordance with OECD guideline 103 using differential scanning calorimetry, the substance was found to decompose before reaching the boiling point (onset temperature ca. 230°C). Value used for CSA= decomposes before reaching the boiling point (onset temperature ca. 230°C).
A reliability rating of 2 was assigned to the key study, according to the criteria of Klimisch, 1997 as the study was conducted to appropriate OECD guideline although not to GLP, however certain details are not reported in the study report although this is considered not to affect the quality of the relevant results.
Relative density The relative density of the substance is stated as being 1.265 at 45°C in a peer reviewed chemical industry handbook. No further information on the methodology employed to determine the result is available. Value used for CSA= 1.265 at 45°C
A reliability rating of 2 was assigned to the key study, according to the criteria of Klimisch, 1997 as the value was taken from peer reviewed literature.
Vapour pressure The key value for this endpoint was taken from a QSAR result which is fully validated for the type of substance (organics), is relevant for this regulatory purpose and has been recommended by the regulatory authority (ECHA, R.7a). Value used for CSA:0.00993 Pa at 25 °C
The key value was derived using the EPIWIN model MPBPWIN, which was given a reliability score of 2 based upon the criteria of Klimisch et al, 1997, and the guidelines set out by the ECHA in guidance document R.7a and R.8. The key study (QSAR model with reliability score of 2) produced a result of 0.0000744 mm Hg (0.00993 Pa) at 25ºC. This key value is suported by a literature source (rated a reliability of 2) which provides a result of 0.00005 mm Hg (4.62 pKa) at around 25ºC.
  Supporting information is also available from the SCS/ARS/CSE Pesticide Properties Database for Environmental Decision-Making II.
  Result: The substance is reported to have a vapor pressure of 5x10-5mm Hg (4.62 pKa) at around 25ºC.
Surface tension In a determination of physico-chemical properties study the test material has been determined to be 63.5 mN/m at 22.2 ± 0.5°C. The test material is considered not to be a surface-active material. Value used for CSA:63.5 mN/m at 20°C and 25.7 mg/L
The determination was carried out using a White Electrical Institute interfacial tension balance and a procedure based on the ISO 304 ring method. With the exception of the following deviation, the experimental procedure used complied with that specified in Method A5 Surface Tension of Commission Regulation (EC) No 440/2008 of 30 May 2008. A reliability rating of 1 was assigned to the key study, according to the criteria of Klimisch, 1997 as the study was conducted in accordance with recognised guidelines and GLP.
Deviation: The surface tension result was not corrected using the Harkins-Jordan correction table as the correction is not applicable to the apparatus used. This deviation has been considered not to have affected the integrity of the study  
Substances showing a surface tension lower than 60 mN/m should be regarded as being surface-active.  
Water solubility In a water solubility study conducted broadly in line with OECD guideline 105 (flask method) the water solubility of the substance was determined to be approximately 0.024 g/L at 20°C and approximately pH 2.8. The study and the conclusions which are drawn from it fulfill the quality criteria (validity, reliability, repeatability). Value used for CSA:0.024 g/L at 20 °C
A reliability rating of 2 was assigned to the key study, according to the criteria of Klimisch, 1997 as the study was conducted to appropriate OECD guideline although not to GLP, however certain details are not reported in the study report although this is considered not to affect the quality of the relevant results.
Partition coefficient n-octanol/water (log value) In an experiment conducted to in-house methodology, using water buffered at pH 7 and a room temperature of 22° C, octanol : water ratio's of 1:5, 1:10, and 1:2.5 gave partition coefficient log values of 1.27, 1.23, 1.29 repectively. A mean value from these values was calculated. As such the n-octanol:water partition coefficient of the substance was determined to be approximately 1.26 at 22°C and pH 7. Value used for CSA:Log Kow (Pow): 1.26 at 22 °C
A reliability rating of 2 was assigned to the key study, according to the criteria of Klimisch, 1997 as the study was conducted to appropriate OECD guideline although not to GLP, however certain details are not reported in the study report although this is considered not to affect the quality of the relevant results.
Flash point The flash point of DNBP was determined using a closed cup method which is considered to provide an effective means of performing numerous closed cup flash point tests according to established regulatory requirements (ASTM, BS and ISO-DIN). Value used for CSA:152.7 °C at 1013 hPa
The experiment was conducted three times and the mean flash point value was determined to be 152.7° C at atmospheric pressure. A reliability rating of 2 was assigned to the key study, according to the criteria of Klimisch, 1997 as the study was conducted to appropriate OECD guideline although not to GLP, however certain details are not reported in the study report although this is considered not to affect the quality of the relevant results.
Flammability In a determination of physico-chemical properties study the test material has been determined to be not highly flammable as it did not propagate combustion over the 200 mm in the preliminary screening test. The rope ignited and burned with an orange flame for 1 minute and 24 seconds before self-extinguishing. The combustion failed to propagate over 200 mm. Value used for CSA:
The result of the preliminary screening test obviated the need to perform the main test. non flammable
The flammability (solids) was determined by measuring the burning rate of test material prepared as a pile of set dimensions. Testing was conducted using Method A10 Flammability (Solids) of Council Regulation (EC) No 440/2008 of 30 May 2008, Part A: Methods for the determination of physico-chemical properties. A reliability rating of 1 was assigned to the key study, according to the criteria of Klimisch, 1997 as the study was conducted in accordance with recognised guidelines and GLP.
Explosive properties Directive (EC) 1907/2006 requires that the explosive properties of the active ingredient should be determined. Value used for CSA:explosive
A case may be made for non-submission of data if it can be shown that the components are not explosive.The purpose of this report is to evaluate the explosive potential of 2-sec-butyl-4,6-dinitrophenol. The evaluation report was used as key information for this endpoint. The purpose of this report is to evaluate the explosive potential of the test substance. The report was given a reliability rating of 2, according to the criteria of Klimisch, 1997 as it was not conducted to GLP and no guideline was specified.
Based on the evaluation, all structural alerts and experimental data indicate that 2-sec-butyl-4,6-dinitrophenol has the potential to possess explosive properties. The official Annex I classification of R44: Risk of explosion if heated under confinement  
Self-ignition temperature In a study to investigate the substance's auto-ignition temperature, conducted to EU Method A15 under conditions of GLP, the substance was determined to have an auto-ignition temperature of 378 ± 5°C. The study and the conclusions which are drawn from it fulfil the quality criteria (validity, reliability & repeatability). Value used for CSA:378 °C at 1013 hPa
A reliability rating of 1 was assigned to the key study, according to the criteria of Klimisch, 1997 as the study was conducted in accordance with recognised guidelines and GLP.
Oxidising properties The substance's potential oxidising properties were investigated in a study conducted under conditions of GLP to EU method A21. The test item is a solid at room temperature and therefore the oxidising properties should ideally be tested using Method A17 Oxidising Properties (Solids) of Commission Regulation (EC) No 440/2008 of 30 May 2008. However on handling, it became apparent that the A17 test was not appropriate due to the physical nature of the test item. The test item was initially determined to have oxidising properties as the mean pressure rise time for the test item/cellulose mixtures was faster than the mean pressure rise time for the nitric acid /cellulose mixtures. However, this conclusion was proved to be false in subsequent testing using kieselguhr, as the mean pressure rise time for the test item/kieselguhr mixtures was also faster than the mean pressure rise time for the nitric acid /cellulose mixtures. Since kieselguhr is an inert material and so cannot be oxidised, the fast pressure rise in the pressure vessel is concluded to be due to reactions other than oxidising. The study and the conclusions which are drawn from it fulfil the quality criteria (validity, reliability & repeatability). Value used for CSA:Oxidising: no
A reliability rating of 1 was assigned to the key study, according to the criteria of Klimisch, 1997 as the study was conducted in accordance with recognised guidelines and GLP.
Stability in organic solvents and identity of relevant degradation products In a study conducted under conditions of GLP using a method deemed appropriate to investigate this endpoint, the substance was determined as being stable as a nominal 1 g/l solution in ethyl benzene and methanol for at least 33 days at 25 ± 2°C. This conclusion was drawn from the absence of any significant change (<5%) in the concentration of the test item in solution over the incubation period. A reliability rating of 1 was assigned to the key study, according to the criteria of Klimisch, 1997 as the study was conducted in accordance with recognised guidelines and GLP.
Dissociation constant In a study conducted to OECD guideline 112 using the titration method, the dissociation constant of DNBP in water was found to be 2.29 x 10-5 mol/L, which equates to a pK value of 4.65 at 21.5°C. Value used for CSA:pKa at 20°C: 4.65
A reliability rating of 2 was assigned to the key study, according to the criteria of Klimisch, 1997 as the study was conducted to appropriate OECD guideline although not to GLP, however certain details are not reported in the study report although this is considered not to affect the quality of the relevant results.
Viscosity In an in-house determination of viscosity study conducted in accordance with OECD guideline 114, the average viscosity of the substance based on 15 determinations was found to be 28.5 Centipoise (mPa s). Value used for CSA:Viscosity at 20°C: 28.5 mPa · s (dynamic)
A reliability rating of 2 was assigned to the key study, according to the criteria of Klimisch, 1997 as the study was conducted to appropriate OECD guideline although not to GLP, however certain details are not reported in the study report although this is considered not to affect the quality of the relevant results.