Registration Dossier

Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance:

On the basis of physical observation,the chemical Benzyl phenylacetate was observed to be clear colourless liquid in appearance.

Other supporting study from reliable handbook also indicates that the chemical Benzyl phenylacetate was observed to be colorless liquid in appearance having sweet, floral (jasmine-rose) odor

Freezing point:

The Freezing point determination of Benzyl phenylacetate (CAS No.102-16-9) was done using crushed ice and salt. No freezing was observed up to -13.54°C. Hence, the freezing point was inferred to be less than -13.54°C at 979.5 hPa.

Boiling point:

The boiling point determination of Benzyl phenylacetate (CAS No. 102-16-9) 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 235.3°C at 978.2 hPa

Density:

The density of test item Benzyl phenylacetate (CAS No. 102-16-9)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 item was determined to be 1.0702 g/cm³at 20°C and 983.1 hPa.

Particle Size Distribution:

The study does not need to be conducted because the test chemical is marketed or used in a non- solid or granular form. Benzyl phenylacetate is a liquid. Hence, this endpoint can be considered for waiver.

Vapor Pressure:

MPBPVP v1.43 was used to estimate the vapour pressure of Benzyl phenylacetate.The estimated vapor pressure of Benzyl phenyl acetate at 25 deg C was 0.0147 Pa.

Partition Coefficient:

The partition Coefficient n-octanol/water of Benzyl phenylacetate(CAS No.102-16-9) 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 functional group similarity with the test substance and calibration graph was prepared. The reference substances were benzene, biphenyl, methyl benzoate, benzyl benzoate, 4-acetylpyridine, toluene, ethylbenzene, n-butyl benzene and naphthalene, having Pow value ranging

from 0.5 to 4.6. The Log Pow value was determined to be 3.4785 ± 0.0065 at 25°C.

Water Solubility:

The estimated water solubility of benzyl phenylacetate at 25 degC was 18.53 mg/l, which implies that it is slighlty soluble in water.

But handbook data indicates that Benzyl phenylacetate was insoluble in water.

Surface tension:

Based on the data from ACD labs, surface tension for Benzyl phenylacetate (102-16-9) was predicted to be 89.9 ± 7.0 dyne/cm

Flash point:

The flash point determination of Benzyl phenylacetate (CAS No. 102-16-9) was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was determined to be 91.6°C at 982.0hPa.

Autoflammability:

Benzyl phenylacetate did not catch fire on being exposed to air at room temperature of 27°C and atmospheric pressure of 966 hPa. This indicates that Benzyl phenylacetate was not auto-flammable.

Flammability:

The Benzyl phenylacetate is a combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.

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 Benzyl phenylacetate (CAS No 102-16-9) 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 4.31at 28 °C.Based on the pH,Benzyl phenylacetate was considered to be acidic in nature.

Viscosity:

The viscosity determination of Test item Benzyl phenylacetate (CAS No. 102-16-9 )was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Kinematic viscosity (experimental) of Test item at 20°C and 40°C is 55.4762 mm²/sec and 35.3951 mm²/s, respectively. Dynamic viscosity (calculated) of Test item at 20°C and 40°C is 59.3706 mPa.S and 37.8798 mPa.S, respectively.

Additional information

Appearance:

On the basis of physical observation,the chemical Benzyl phenylacetate was observed to be clear colourless liquid in appearance.

Other supporting study from reliable handbook also indicates that the chemical Benzyl phenylacetate was observed to be colorless liquid in appearance having sweet, floral (jasmine-rose) odor.

Freezing point:

The Freezing point determination of Benzyl phenylacetate (CAS No.102-16-9) was done using crushed ice and salt. No freezing was observed up to -13.54°C. Hence, the freezing point was inferred to be less than -13.54°C at 979.5 hPa.

Boiling point:

The boiling point determination of Benzyl phenylacetate (CAS No. 102-16-9) 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 235.3°C at 978.2 hPa

Other supporting studies from various reliable sources such as handbook and review article also indicates that the boiling point of chemical Benzyl phenylacetate was determined to be in the range of 317 degree C to 320 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 as 232.3degree C at 978.2 hPa,thus considered as key study for the chemical safety assessment

Density:

The density of test item Benzyl phenylacetate (CAS No. 102-16-9)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 item was determined to be 1.0702 g/cm³at 20°C and 983.1 hPa.

Other supporting studies from various reliable sources such as handbook and authoritative database also indicates that the density of chemical Benzyl phenylacetate was determined to be in the range of 1.099 g/cm3 to 1.1 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 1.0702 g/cm3 at 20 degree C,thus considered as key study for the chemical safety assessment

Particle Size Distribution:

The study does not need to be conducted because the test chemical is marketed or used in a non- solid or granular form. Benzyl phenylacetate is a liquid. Hence, this endpoint can be considered for waiver.

Vapor Pressure:

MPBPVP v1.43 was used to estimate the vapour pressure of Benzyl phenylacetate.The estimated vapor pressure of Benzyl phenyl acetate at 25 deg C was 0.0147 Pa.

Partition Coefficient:

The partition Coefficient n-octanol/water of Benzyl phenylacetate(CAS No.102-16-9) 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 functional group similarity with the test substance and calibration graph was prepared. The reference substances were benzene, biphenyl, methyl benzoate, benzyl benzoate, 4-acetylpyridine, toluene, ethylbenzene, n-butyl benzene and naphthalene, having Pow value ranging

from 0.5 to 4.6. The Log Pow value was determined to be 3.4785 ± 0.0065 at 25°C.

Water Solubility:

The estimated water solubility of benzyl phenylacetate at 25 degC was 18.53 mg/l, which implies that it is slighlty soluble in water.

But handbook data indicates that Benzyl phenylacetate was insoluble in water.

Surface tension:

Based on the data from ACD labs, surface tension for Benzyl phenylacetate (102-16-9) was predicted to be 89.9 ± 7.0 dyne/cm.

Flash point:

The flash point determination of Benzyl phenylacetate (CAS No. 102-16-9) was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was determined to be 91.6°C at 982.0hPa.As laboratory data available has K1 reliability was considered as key study which was supported by handbook data and pubchem, the flash Point of the benzyl phenylacetate (102 -16 -9) was determined to be >100°C and >93.33 degree C.

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

Autoflammability:

Benzyl phenylacetate did not catch fire on being exposed to air at room temperature of 27°C and atmospheric pressure of 966 hPa. This indicates that Benzyl phenylacetate was not auto-flammable.

Flammability:

The Benzyl phenylacetate is a combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.

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 Benzyl phenylacetate (CAS No 102-16-9) 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 4.31at 28 °C.Based on the pH,Benzyl phenylacetate was considered to be acidic in nature.

Viscosity:

The viscosity determination of Test item Benzyl phenylacetate (CAS No. 102-16-9 )was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Kinematic viscosity (experimental) of Test item at 20°C and 40°C is 55.4762 mm²/sec and 35.3951 mm²/s, respectively. Dynamic viscosity (calculated) of Test item at 20°C and 40°C is 59.3706 mPa.S and 37.8798 mPa.S, respectively.