Benzyl isobutyrate

Endpoint summary

Description of key information

Appearance:

On the basis of physical observation the test chemical was colorless liquid in appearance.

Freezing point:

The Freezing point of test chemical was determined with Freezing Temperature Method and it was determined to be less than -10.86 °C at 978.9 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 in replicates and mean boiling point was determined to be 232°C at 977.8 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 1.066 g/cm³ at 20°C and 978 .0 hPa.

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 is marketed or used in a non solid or granular form.The test substance is a colorless  liquid at room temperature and as such this study is not technically feasible. Hence this endpoint was considered for waiver.

Vapour Pressure:

Data suggests that the estimated vapor pressure for test chemical is 0.0428 mm Hg = 5.7 Pa at 25°C.

Partition coefficient:

The partition Coefficient n-octanol/water of test chmeical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared.

The reference substances4-Acetylpyridine, Biphenyl, Benzyl Benzoate, Cinnamic Acid, Toluene, Ethylbenzene, Naphthalene, n-Butylbenzene were chosen having log Pow range from 0.5 to 4.6.

The Log Pow value was determined to be2.995± 0.001dimensionless at 25°C.This value indicates that the substance is hydrophilic in nature.

Water Siolubility:

The water solubility determination of test item was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of test item in water was determine to be 989.48 mg/L at 25°C.

Thus the test item is considered to be moderately soluble.

Surface tension:

From the available data, the surface tension of test chemical was predicted to be 34.4±3.0 dyne/cm.

Flash point:

The flash point determination of test chemical was done by laboratory following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was found to be 92.3°C at 977.9hPa.

Auto flammability:

Based on available data from authoritative database,the self ignition temperature of test chemical was reported to be 435 degree C which comes under temperature class T2.

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 for chemical safety assessment.

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 test chemical. Thus, this end point was considered for waiver and the chemical is considered to be "Non explosive".

Oxidising properties:

In accordance with column 2 of Annex VII of the REACH regulation, the substance 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. However, these elements are not chemically bonded to nitrogen or oxygen. Thus, the chemical is unlikely to exhibit oxidising properties and this study was therefore considered for waiver.

pH :

The pH determination of test item 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 3.77at 28 °C.Based on the result test item was considered to be acidic in nature.

Viscocity:

Kinematic viscosity (experimental) of test item at 20°C and 40°C is 16.79mm²/sec and 12.75mm²/s,respectively. Dynamic viscosity (calculated) of test item at 20°C and 40°C is 17.89mPa.S and 13.59mPa.S, respectively.

Additional information

Appearance:

On the basis of physical observation the test chemical was colorless liquid in appearance.

Other supporting studies also suggests that the test chemicalwas colorless liquid in appearance havingfloral, jasmine – odor.

Hence,based on above results the chemicalwas considered to be colorless liquid in appearance.

Freezing point:

The Freezing point determination of test chemical was done using crushed ice and salt . No freezing was observed up to -10.86°C. ence, the freezing point was inferred to be less than -10.86°C at 978.9 hPa.

Other supporting study,the freezing point of test chemical was determined to be less than -60 degree C.

As the data from lab has K1 reliability and the test was performed using standard method of analysis which has the value of freezing point temperature as <-10.86 degree C thus considered as key study for the chemical safety assessment.

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 in replicates and mean boiling point was determined to be 232°C at 977.8 hPa.

Other supporting studies from various reliable sources also suggests that the boiling of test chemical was determined to be in the range of 229 degree C to 234 degree C.

As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of boiling point temperature as 232 degree C at 977.8 hpa pressure,thus considered as key study for the chemical safety assessment.

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 oftest itemwas determined to be 1.066 g/cm³ at 20°C and 978 .0 hPa.

Other supproting data from reliable sources such as authoritative database and handbooks also suggests that the density of chemical was reported to be in the range of 1.001 g/cm3 to 1.0159 g/cm3 at 20 degree C.

 

As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of density as 1.066 g/cm³ at 20°C and 978 .0 hP,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 is marketed or used in a non solid or granular form.The test substance is a colorless liquid at room temperature and as such this study is not technically feasible. Hence this endpoint was considered for waiver.

Vapour Pressure:

Data from peer reviewed articles and modelling databases suggests that the estimated vapor pressure for test chemical was 0.0428 mm Hg = 5.7 Pa at 25°C

Partition coefficient:

The partition Coefficient n-octanol/water of test chmeical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared.

The reference substances4-Acetylpyridine, Biphenyl, Benzyl Benzoate, Cinnamic Acid, Toluene, Ethylbenzene, Naphthalene, n-Butylbenzene were chosen having log Pow range from 0.5 to 4.6.

The Log Pow value was determined to be2.995± 0.001dimensionless at 25°C.This value indicates that the substance is hydrophilic in nature.

To support the experiment study data from peer reviewed articles and various modeling databases have been reviewed which indicates that the estimated/ calculated partition coefficient of test chemical was 2.99.

Water Siolubility:

The water solubility determination of test item was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of test item in water was determine to be 989.48 mg/L at 25°C.

Thus the test item is considered to be moderately soluble.

Surface tension:

From the available data, the surface tension of test chemical was predicted to be 34.4±3.0 dyne/cm.

Flash point:

From the various sources the test chemical was reviewed to summarize the following information.

The flash point determination of test chemical was done by laboratory following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was found to be 92.3°C at 977.9hPa.

From the available data, the flash point fortest chemicalwas determined to be 100 degree C.And from authoritative database gestis, the flash point for test chemical was determined to be >100 degree C.

As per the available data for flash point , the flash point value determined was in range from 92.3 degree C to >100 degree C. As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of flash point as 92.3 °C at977.9 hPa within the range thus considered as key study for the chemical safety assessment. Also based on criteria mentioned in CLP regulation the chemical has flash point >than 60 degree C hence the test chemical was considered to be non-flammable.

Auto flammability:

Based on available data from authoritative database,the self ignition temperature of test chemical was reported to be 435 degree C which comes under temperature class T2.

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 for chemical safety assessment.

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 test chemical. Thus, this end point was considered for waiver and the chemical is considered to be "Non explosive".

Oxidising properties:

In accordance with column 2 of Annex VII of the REACH regulation, the substance 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. However, these elements are not chemically bonded to nitrogen or oxygen. Thus, the chemical is unlikely to exhibit oxidising properties and this study was therefore considered for waiver.

pH :

The pH determination of test item 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 3.77at 28 °C.Based on the result test item was considered to be acidic in nature.

Viscocity:

Kinematic viscosity (experimental) of test item at 20°C and 40°C is 16.79mm²/sec and 12.75mm²/s,respectively. Dynamic viscosity (calculated) of test item at 20°C and 40°C is 17.89mPa.S and 13.59mPa.S, respectively.