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EC number: 225-918-0 | CAS number: 5146-66-7
Endpoint summary
Administrative data
Description of key information
Additional information
Appearance:
In an experiment conducted by SSS (Europe),AB,on the basis of physical observation ,the chemical 3,7-dimethylocta-2,6-dienenitrile was observed to be colourless liquid in appearance.
Based on the data available from reliable sources such as review article and authoritative database ,the chemical is colourless to yellow colored liquid in appearance.
Freezing point:
In an experiment conducted by SSS (Europe) AB,the Freezing point of 3,7-dimethylocta-2,6-dienenitrile (CAS No.5146-66-7)was determined with crushed ice and salt bath and the freezing point was concluded to be less than-13.5°C at 965.9 hPa.
Other supporting studies from reliable sources such as authoritative database and review article also suggeest that the freezing point value of chemical 3,7-dimethylocta-2,6-dienenitrile determined to be in the range of -7.79 degree C to <-50 degree C.
As the data from lab has K1 reliability and the test was performed using standard methods of analysis which has the value of freezing point as < -13.5 degree C thus considered as key study for the chemical safety assessment
Boiling point:
In an experiment conducted by SSS (Europe) AB,the boiling point determination of3,7-dimethylocta-2,6-dienenitrile (CAS No. 5146-66-7) was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and mean boiling point was found to be 234.3 °C at 967.2 hPa.
Other supporting studies from reliable sources such as authoritative database and review article also suggests that the boiling of chemical is between the range of 234 degree C to 260 degree C.
As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of boilingg point as 234.3 degree celcius thus considered as key study for the chemical safety assessment.
Density:
In an experiment conducted by SSS(Europe) AB,the mean density of test item3,7-dimethylocta-2,6-dienenitrile (CAS No. 5146-66-7)was determined following OECD Guideline 109and according to the Indian standard method for determination of density of liquids [IS 4730:1994 (Reaffirmed 2010)]using glass pyknometer . The mean density of the test item was found to be 0.8676 g/cm3at 20 degree C and 968.7 hPa.
Based on available data from reliable sources such as authoritative database and review article,the density of chemical was determined to be in the range of 0.853 g/cm3 to 0.9 g/cm3 .
As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of density as 0.8676 g/cm3 thus considered as key study for the chemical safety assessment.
Particle Size Distribution:
In accordance with REACH Chapter R.7A Endpoint Specific Guidance, specifically R.7.1.14.1 Information requirements on granulometry, the granulometry study does not need to be conducted as the test substance, 3,7-Dimethyl-2,6octadienenitrile is marketed or used in a non solid or granular form.The test substance, 3,7-Dimethyl-2,6octadienenitrile is a colorless liquid at room temperature and as such this study is not technically feasible.Hence this endpoint was considered for waiver.
Vapor Pressure:
Data from various modelling databases suggests that the estimated vapor pressure of Geranyl nitrile lies in the range of 3.3 – 4.9 Pa at 25 deg C.
The estimated vapor pressure used for the chemical safety assessment of Geranyl nitrile was 4.82 Pa at 25 deg C, which lies in the above range.
Partition coefficient:
Data from various modelling databases and peer reviewed journals suggests that the octanol- water partition coefficient of Geranyl nitrile lies in the range of 2.989 - 3.5.
The octanol water partition coefficient used for the chemical safety assessment of Geranyl nitrile was 3.47, which lies in the above range.
Water Solubility:
WATERNT v 1.01 of EPISUITE v4.11 was used to estimate the water solubility of the test chemical.
The estimated water solubility of Geranyl nitrile at 25 deg C was 540.99 mg/L.
Based on the results, it can be concluded that Geranyl nitrile is moderately soluble in water.
Surface tension:
Based on the available data from chemspider, the surface tension for test substance 3,7-dimethylocta-2,6-dienenitrile (5146 -66 -7) was estimated to be 29.5±3.0 dyne/cm.
Flash point:
The flash point determination of3,7-dimethylocta-2,6-dienenitrile(CAS No. 5146-66-7)was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was found to be 108.66 °C at 968.4 hPa.
Autoflammability:
3,7-dimethylocta-2,6-dienenitrile did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that 3,7-dimethylocta-2,6-dienenitrile is not auto-flammable.
Flammability:
The chemical 3,7-dimethylocta-2,6-dienenitrile was not flammable liquid.
Explosiveness:
In accordance with column 2 of Annex VII of the REACH regulation, the study does not need to be conducted since there are no chemical groups associated with explosive properties present in the molecule of 3,7-dimethylocta-2,6-dienenitrile. Thus, the chemical is likely to be "Non explosive". Hence this end point was considered for waiver
Oxidising Properties:
In accordance with column 2 of Annex VII of the REACH regulation, the substance 3,7-dimethylocta-2,6-dienenitrile is incapable of reacting exothermically with combustible materials on the basis of the chemical structure. It is an organic substance containing oxygen but no halogen atoms and these elements are not chemically bonded to nitrogen or oxygen. Thus, the chemical is likely to be "Non-oxidising".
pH:
The pH determination of the test item3,7-dimethylocta-2,6-dienenitrile(CAS No.5146-66-7) was done following OECD guideline 122. The mean pH of 1% w/v emulsion was measured with the help of pH meter and it was observed to be 5.55 at 30 °C.
Viscosity:
In an experiment conducted by SSS (Europe) AB,Kinematic viscosity (experimental) of3,7-dimethylocta-2,6-dienenitrile (CAS No. 5146-66-7)at 200C and 400C is10.82 mm2/secand10.03mm2/s, respectively.
Dynamic viscosity (calculated) of3,7-dimethylocta-2,6-dienenitrile (CAS No. 5146-66-7)at 200C and 400C is 9.38 mPa.S and 8.70mPa.S, respectively.
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