Dodecan-5-olide

Endpoint summary

Description of key information

Appearance:

Application of 0.1 ml delta–dodecalactone [unknown concentration] into the rabbit eye was reported to cause no injury to the cornea or conjunctiva in a 24 hour period.

 

Freezing point:

The freezing point determination of test chemical was done using crushed ice and salt. No freezing was observed up to -8.80°C. Hence, the freezing point was inferred to be less than -8.80°C at 967.9 hPa.

Boiling point:

The boiling point determination of test chemical was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted and no string of bubbles were observed upto 300 °C, inferring boiling point to be greater than 300°C. at 972.1 hPa.

 

Density:

The density of test test chemical 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 pycnometer. The mean density of test chemical was determined to be 0.9489 g/cm³at 20°C and 971.0 hPa

Particle size distrubition (granulometry):

In accordance with Column 2 of Annex VII , this end point was considered for waiver since the test chemical is liquid at room temperature and shall be used in liquid i.e non-solid form and hence the study is scientifically unjustified.

Vapour pressure:

The vapour pressure value of test chemical is estimated to be 0.00099 mm Hg at 25 deg C by Modified Grain method.

This value is equivalent to 0.132 Pa. at 25 deg C.

Partition coefficient:

Based on the available data from authoritative database, the partition coefficient (log Pow) value of the test chemical was determined to be 3.48.

Water solubility:

The water solubility determination of test chemical was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was determine to be 70.6333 mg/L at 25°C. Hence, it's considered to be slightly soluble in water.

 

Surface tension:

The surface tension of test chemical is estimated to be 30.854 mN/m at 25 deg C.

Flash point:

The flash point determination of test chemical was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was determine to be 138°C at 971.6hPa.

Based on criteria mentioned in CLP regulation the chemical has flash point > than 60 degree C hence the test chemcal was considered to be non-flammable.

Auto flammability :

Test chemical did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that Test chemical is not auto-flammable.

 

Flammability :

Test chemical does not indicate any ignition when the flame of bunsen burner having temperature of approximately 950°C is brought in contact with it. Thus it can be concluded that Test chemical is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Test chemical was considered non-flammable.

 

Explosiveness :

In accordance with Column 2 of REACH Annex VII, this end point was considered for waiver based on the structural assessment of the substance. Examination of the structure of test chemical indicates that there are no chemical groups associated with explosive properties. Hence, this end point was considered for waiver.

 

Oxidising properties:

Test chemical was not observed to have an oxidising property since 86.6mg of KMnO4 was required for getting the end point of the redox titration for 100 g of test chemical.

 

Stability in organic solvents and identity of relevant degradation products:

Test chemical was observed to be stable in organic solvent dichloro methane and no degradation products were formed after 24 hours as evident from the GC-MS chromatogram obtained at 0 hours and that obtained after 24 hours.

pH:

The pH determination of test chemical was done following OECD guideline 122. pH of 1% w/v emulsion was measured with the help of pH meter and it was observed to be 3.41 at 25.2 °C.

Dissociation constant:

The experimental average pKa value for test chemical was observed to be 0.001512 at 21 deg C , indicating that the subsatnce has got dissociation properties. This value is equivalent to 0.00144 at 20 deg C.

Viscosity:

The viscosity determination of test chemical was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Kinematic viscosity (experimental) of test chemical at 20°C and 40°C was determined to be 21.6372 mm²/sec and 20.4072 mm²/s, respectively and Dynamic viscosity (calculated) of test chemical at 20°C and 40°C was determined to be 20.5315 mPa.S and 19.3643 mPa.S, respectively.

Additional information

Appearance:

Application of 0.1 ml delta–dodecalactone [unknown concentration] into the rabbit eye was reported to cause no injury to the cornea or conjunctiva in a 24 hour period.

 

Freezing point:

The freezing point determination of test chemical was done using crushed ice and salt. No freezing was observed up to -8.80°C. Hence, the freezing point was inferred to be less than -8.80°C at 967.9 hPa.

From other reliable sources, the freezing point of test chemical was observed to be -12 degree C.

Boiling point:

The boiling point determination of test chemical was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted and no string of bubbles were observed upto 300 °C, inferring boiling point to be greater than 300°C. at 972.1 hPa.

Density:

The density of test test chemical 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 pycnometer. The mean density of test chemical was determined to be 0.9489 g/cm³at 20°C and 971.0 hPa

From other experimental report, the density of the test chemical by the mass by volume method was determined to be 0.898 g/cm³ at a room temperature of 21 deg C.

Also from other reliable sources,the density of test chemical was determined to be 0.9585 g/cm³ at a reference temperature of 4°C and measurement temperature 20°C.

Particle size distrubition (granulometry):

In accordance with Column 2 of Annex VII , this end point was considered for waiver since the test chemical is liquid at room temperature and shall be used in liquid i.e non-solid form and hence the study is scientifically unjustified.

Vapour pressure:

The vapour pressure value of test chemical is estimated to be 0.00099 mm Hg at 25 deg C by Modified Grain method.

This value is equivalent to 0.132 Pa. at 25 deg C.

Partition coefficient:

Based on the available data from authoritative database, the partition coefficient (log Pow) value of the test chemical was determined to be 3.48.

Additional study from peer reviewed journal, authoritative and modelling database indicates that the octanol water partition coefficient (log Pow) value of the test chemical was estimated to be 3.55.

Thus, based on the available information, the logPow valueof the test chemical was evaluated to be ranges from 3.48 to 3.55, respectively.

Water solubility:

The water solubility determination of test chemical was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was determine to be 70.6333 mg/L at 25°C. Hence, it's considered to be slightly soluble in water.

 

Surface tension:

The surface tension of test chemical is estimated to be 30.854 mN/m at 25 deg C.

Flash point:

The flash point determination of test chemical was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was determine to be 138°C at 971.6hPa.

Based on criteria mentioned in CLP regulation the chemical has flash point > than 60 degree C hence the test chemcal was considered to be non-flammable.

From other experimental report, the value of flash point of test chemical by the closed cup method was determine to be 135.7 degC at 1005hPa.

 

Auto flammability :

The temperature at which a substance catches fire without the help of a source of ignition such as on exposure to air is the basic principle based on which we arrive at a conclusion that the test chemical is non flammable in nature and so it does not possess the property of self ignition / auto flammability.

 

Flammability :

Test chemical does not indicate any ignition when the flame of bunsen burner having temperature of approximately 950°C is brought in contact with it. Thus it can be concluded that Test chemical is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Test chemical was considered non-flammable.

 

Explosiveness :

In accordance with Column 2 of REACH Annex VII, this end point was considered for waiver based on the structural assessment of the substance. Examination of the structure of test chemical indicates that there are no chemical groups associated with explosive properties. Hence, this end point was considered for waiver.

 

Oxidising properties:

Test chemical was not observed to have an oxidising property since 86.6mg of KMnO4 was required for getting the end point of the redox titration for 100 g of test chemical.

 

Stability in organic solvents and identity of relevant degradation products:

Test chemical was observed to be stable in organic solvent dichloro methane and no degradation products were formed after 24 hours as evident from the GC-MS chromatogram obtained at 0 hours and that obtained after 24 hours.

pH:

The pH determination of test chemical was done following OECD guideline 122. pH of 1% w/v emulsion was measured with the help of pH meter and it was observed to be 3.41 at 25.2 °C.

From other experimental study ,the pH of test chemical at 1 % solution and temperature of 23 deg C was observed to be 2.06 indicating the chemical to be acidic.

Dissociation constant:

The experimental average pKa value for test chemical was observed to be 0.001512 at 21 deg C , indicating that the subsatnce has got dissociation properties. This value is equivalent to 0.00144 at 20 deg C.

Viscosity:

The viscosity determination of test chemical was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Kinematic viscosity (experimental) of test chemical at 20°C and 40°C was determined to be 21.6372 mm²/sec and 20.4072 mm²/s, respectively and Dynamic viscosity (calculated) of test chemical at 20°C and 40°C was determined to be 20.5315 mPa.S and 19.3643 mPa.S, respectively.