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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance / physical state / colour


On the basis of physical observation, test chemical was observed to be yellow liquid.


 


Melting point/ Freezing point



Experimental study was performed according to OECD 102 wherein Freezing point of test chemical was determined to be less than -9.3°C at 972.5 hPa



 


Boiling point


The boiling point determination of test chemical was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point of test chemical was determined to be 226.6°C at 968.6 hPa


 


Density


The density of test item was determined following OECD Guideline 109 and according to the IS 4730 : 1994 (Reaffirmed 2010) – Method for Determination of Density of Liquids (First Revision) using glass pyknometer.



The mean density of test chemical was determined to be 1.02 g/cm³ at 20°C and 969.7 hPa. .



 


 


Particle size distribution (Granulometry)


The study does not need to be conducted because the substance is marketed or used in a non solid or granular form.


 


Vapour pressure


Based on the data from modelling database, Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the test chemical using MPBPVP v1.43 of EPI SUITE. The vapour pressure of test chemical at 25°C was estimated to be 0.0000799 mmHg (0.0106 Pa).


 


Partition coefficient


The Log Pow value was determined  to be 1.682±0.003 at 25°C.


 


Water solubility


The water solubilityof test chemical  was observed to be 4306.03 mg/L at 29.8 °C.


Surface tension


The mean surface tension of test chemical was determined to be 34 dynes/cm at  23 ºC ..


 


Flash point


The mean flash point of test chemical was determined to be 93.6°C at 968.2 hPa .


 


Autoflammability


Test chemical did not catch fire on being exposed to air at room temperature of 28°C and at pressure of 975 hPa. This indicates that the test chemical is not auto-flammable.


 


Flammability


Flash point of test substance was determined to be 93.6°C . On the basis of GHS classification criteria, test chemical has flash point > 60°C hence the test chemical was considered to be non flammable.


 


Explosiveness


The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with explosive properties


 


Oxidising properties


the study does not need to be conducted because there are no chemical groups present in the molecule which are associated with oxidising properties and hence, the classification procedure does not need to be applied


 


pH


The pH determination of test item was done as per the test guideline OECD 122. The mean pH of the test dispersion was determined with the help of digital pH meter. The mean pH was determine to be 10.74 at 20.6 °C , inferring its basic nature.

Additional information

Appearance / physical state / colour


On the basis of physical observation, test chemical was observed to be  yellow liquid.


 


Melting point/ Freezing point






A study was performed to determine the Freezing point of test chemical at respective atmospheric pressure.




The study was conducted as per OECD 102 Adopted 27.07.95 using Micro LAB Interface FS–524 data




generation system and thermostat as temperature detection system.




The Mean Freezing Point was observed to be less than -9.3°C at 972.5 hPa



 




 





Boiling point



A study was performed to determine the boiling point of test chemical at atmospheric pressure.

The study was conducted in accordance with OECD 103, Guideline for testing of chemicals, for Boiling Point Adopted by Council on 27th July 1995.

The mean boiling point was determined to be 226.6°C at 968.6 hPa


 


Density




A study was performed to determine the density of test chemical in respective atmospheric pressure and temperature conditions.




The study was conducted in accordance with OECD guideline for the Testing of Chemicals no. 109; Density of Liquid and Solids, Adopted: 2 October 2012 and Method adapted from IS 4730:1994 (Reaffirmed 2003) Method for determination of Density of Liquids.




The mean density of test chemical was determined to be 1.02 g/cm³ at 20°C and 969.7 hPa. .



 




 



 


Particle size distribution (Granulometry)


The study does not need to be conducted because the substance is marketed or used in a non solid or granular form.


 


Vapour pressure


Based on the data from modelling database, Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the test chemical using MPBPVP v1.43 of EPI SUITE. The vapour pressure of test chemical at 25°C was estimated to be 0.0000799 mmHg (0.0106 Pa).


 


Partition coefficient


The Partition Coefficient n-octanol/water (Pow) of test chemical was determined by the Reverse Phase High Performance Liquid Chromatography (RP-HPLC) method according to OECD Guideline No. 117 Adopted: 13 April 2004 for testing of chemicals.

The analysis was performed at constant recommended conditions such as temperature 25°C, mobile phase ratio of methanol: water 75:25 with flow rate of 1 mL/min at 210 nm on CL-2 (Eclipse plus, 4.6*100 mm, 3.5µ) column. Generalized reference substances were selected from the OECD guideline. Selected reference substances and test chemical were prepared in methanol and were analyzed on HPLC considering the similar conditions.

After analyzing on above conditions calibration curve of selected reference substances was prepared to obtain log Pow value.

The reference substances were Aniline, Acetanilide, Nitrobenzene, Benzene, Ethylbenzene and Phenanthrene having Pow value ranging from 0.8 to 4.3

The Log Pow value was determined  to be 1.682±0.003 at 25°C. Thus it can be concluded that the test chemical is hydrophilic in nature 

 


Water solubility


The study was conducted to determine the solubility of test chemical in ultra-pure water, according to the OECD guideline 105 (Adopted by the Council on 27th July 1995) and OECD 101(Adopted: 12 May 1981). Test was conducted at 29.8 °C in two stages; preliminary test for 24 h, followed by confirmatory test for 24 h, 48 h and 72 h in replicates. The final water solubility value was calculated based on average of the individual values obtained after 24 h, 48 h and 72 h. The difference between the average values in three vessels was not observed more than 15%. The water solubility value was observed to be 4306.03 mg/L at 29.8 °C. Thus it can be concluded that test chemical is highly soluble in water .


 


Surface tension



A study was performed to determine the surface tension of test chemical using ring method . The mean surface tension was determined to be 34 dynes/cm at  23 ºC .

 


 


Flash point



A study was performed to determine the flash point of test chemical at atmospheric pressure.The study was conducted in accordance with ASTM Designation: D93–15a Standard Test Methods for Flash Point by Pensky-Marten’s Closed Cup Method .

 

The mean flash point of test chemical was determined to be 93.6°C at 968.2 hPa .


 


Autoflammability


Test chemical did not catch fire on being exposed to air at room temperature of 28°C and at pressure of 975 hPa. This indicates that the test chemical is not auto-flammable.


 


 


Flammability


Flash point of test substance was determined to be 93.6°C . On the basis of GHS classification criteria, test chemical has flash point > 60°C hence the test chemical was considered to be non flammable.


 


Explosiveness


The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with explosive properties


 


Oxidising properties


the study does not need to be conducted because there are no chemical groups present in the molecule which are associated with oxidising properties and hence, the classification procedure does not need to be applied


 


pH




A study was performed to determine the pH of test chemical at respective temperature.




The study was conducted in accordance with OECD 122, Guideline for testing of chemicals, for pH Adopted by Council on 26thJuly, 2013.




pH value for 1% aqueous solution of test chemical was observed to be 10.74 at 20.6°C ,inferring its basic nature.