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EC number: 225-895-7 | CAS number: 5137-52-0
Endpoint summary
Administrative data
Description of key information
Appearance:
On basis of visual perceptual,the chemical pentyl 2-phenylacetate was observed to be an organic colouless liquid in appearance.
Freezing point:
The Freezing point determination of pentyl 2-phenylacetate(CAS No.5137-52-0) was done using crushed ice and salt. No freezing was observed up to -8.09°C. Hence, the freezing point was inferred to be less than -8.09 °C at 969.2 hPa.
Boiling point:
The boiling point determination of the chemical pentyl 2-phenylacetate (CAS No. 5137-52-0 ) was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The mean boiling point was determined to be 281.1°C at 966.1 hPa.
Density:
The density of the chemical pentyl 2-phenylacetate (CAS No. 5137-52-0 ) was determined following OECD guideline 109 and according to the Indian standard method for determination of density of liquids [IS 4730:1994 (Reaffirmed 2010)] . The mean density of the chemical pentyl 2-phenylacetate was determined to be 1.0298 g/cm³at 20°C and 965.3 hPa.
Particle size distribution:
The study does not need to be conducted because the substance is marketed or used in a non solid or granular form.
Vapour pressure:
Modified Grain method was used to estimate the vapour pressure of the substance pentyl 2 -phenylacetate using MPBPVP v1.43 of EPI SUITE. The estimated vapour pressure of the substance pentyl 2 -phenylacetate at 25 deg C was0.398 Pa.
Partition Coefficient:
The octanol- water partition coefficient of the test substancePentyl phenylacetate (CAS no. 5137 -52 -0)was estimated using OPERA V1.02.
The estimated LogPow of the test substance Pentyl phenylacetate was 3.53 dimensionless. On the basis of log Pow value it is concluded that this test chemical is hydrophilic in nature.
Water solubility:
The water solubility determination of chemical pentyl 2-phenylacetate (CAS No. 5137-52-0) was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of ( Pentyl 2-phenylacetate of 5137-52-0)in water was determined to be 525.84 mg/L at 30°C.Based on the above value,the test chemical was concluded to be moderately soluble in water.
Surface tension:
Based on the prediction done from ACD labs, surface tension of chemical pentyl 2-phenylacetate was predicted to be 35.2 ± 3.0 dyne/cm.
Flash point:
The flash point determination of pentyl 2-phenylacetate (CAS No. 5137-52-0)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 159.6°C at 966.2hPa.
Auto flammability:
Pentyl 2-phenylacetate did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that pentyl 2-phenylacetate is not auto-flammable.
Flammability:
Pentyl 2-phenylacetate 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 Pentyl 2-phenylacetate is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Pentyl 2-phenylacetate was considered non-flammable for chemical safety assessment.
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 the organic substance contains oxygen or halogen atoms which are chemically bonded only to carbon or hydrogen and hence, the classification procedure does not need to be applied.
pH:
The pH determination of chemical pentyl 2-phenylacetate (CAS No. 5137-52-0 ) was done as per the test guideline OECD 122. The mean pH of the test emulsion was determined with the help of digital pH meter. The mean pH was determined o be 3.77 at 30 °C.
Viscosity:
The viscosity determination of the chemical pentyl 2-phenylacetate (CAS No. 5137-52-0 )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 20.1432 mm²/sec and 20.8560 mm²/s, respectively. Dynamic viscosity (calculated) of Test item at 20°C and 40°C is 20.7434 mPa.S and 21.4775 mPa.S, respectively.
Additional information
Appearance:
On basis of visual perceptual,the chemical pentyl 2-phenylacetate was observed to be an organic colouless liquid in appearance.
Other supporting study from review article also indicates that the chemical pentyl 2-phenylacetate was observed to be an organic liquid in appearance
Freezing point:
The Freezing point determination of pentyl 2-phenylacetate(CAS No.5137-52-0) was done using crushed ice and salt. No freezing was observed up to -8.09°C. Hence, the freezing point was inferred to be less than -8.09 °C at 969.2 hPa.
Boiling point:
The boiling point determination of the chemical pentyl 2-phenylacetate (CAS No. 5137-52-0 ) was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The mean boiling point was determined to be 281.1°C at 966.1 hPa.
Other supproting study from review article also indicates that the boiling point of chemical pentyl 2-phenylacetate was determined to be 268 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 281.1 degree C thus considered as key study for the chemical safety assessment.
Density:
The density of the chemical pentyl 2-phenylacetate (CAS No. 5137-52-0 ) was determined following OECD guideline 109 and according to the Indian standard method for determination of density of liquids [IS 4730:1994 (Reaffirmed 2010)] . The mean density of the chemical pentyl 2-phenylacetate was determined to be 1.0298 g/cm³at 20°C and 965.3 hPa.
Other supporting study from review article also indicates that the density of chemical pentyl 2-phenylacetate was determined to be in the range of 0.977 g/cm3 to 0.985 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 1.0298 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 substance is marketed or used in a non solid or granular form.
Vapour pressure:
Modified Grain method was used to estimate the vapour pressure of the substance pentyl 2 -phenylacetate using MPBPVP v1.43 of EPI SUITE. The estimated vapour pressure of the substance pentyl 2 -phenylacetate at 25 deg C was0.398 Pa.
Partition Coefficient:
The octanol- water partition coefficient of the test substance Pentyl phenylacetate (CAS no. 5137 -52 -0)was estimated using OPERA V1.02.
The estimated LogPow of the test substance Pentyl phenylacetate was 3.53 dimensionless. On the basis of log Pow value it is concluded that this test chemical is hydrophilic in nature.
Water solubility:
The water solubility determination of chemical pentyl 2-phenylacetate (CAS No. 5137-52-0) was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of ( Pentyl 2-phenylacetate of 5137-52-0)in water was determined to be 525.84 mg/L at 30°C.Based on the above value,the test chemical was concluded to be moderately soluble in water.
Surface tension:
Based on the prediction done from ACD labs, surface tension of chemical pentyl 2-phenylacetate was predicted to be 35.2 ± 3.0 dyne/cm.
Flash point:
The flash point determination of pentyl 2-phenylacetate (CAS No. 5137-52-0)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 159.6°C at 966.2hPa.
Auto flammability:
Pentyl 2-phenylacetate did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that pentyl 2-phenylacetate is not auto-flammable.
Flammability:
Pentyl 2-phenylacetate 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 Pentyl 2-phenylacetate is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Pentyl 2-phenylacetate was considered non-flammable for chemical safety assessment.
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 the organic substance contains oxygen or halogen atoms which are chemically bonded only to carbon or hydrogen and hence, the classification procedure does not need to be applied.
pH:
The pH determination of chemical pentyl 2-phenylacetate (CAS No. 5137-52-0 ) was done as per the test guideline OECD 122. The mean pH of the test emulsion was determined with the help of digital pH meter. The mean pH was determined o be 3.77 at 30 °C.
Viscosity:
The viscosity determination of the chemical pentyl 2-phenylacetate (CAS No. 5137-52-0 )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 20.1432 mm²/sec and 20.8560 mm²/s, respectively. Dynamic viscosity (calculated) of Test item at 20°C and 40°C is 20.7434 mPa.S and 21.4775 mPa.S, respectively.
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