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EC number: 204-185-0 | CAS number: 117-34-0
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of physical observation,the chemical diphenyl acetic acid was observed to be white colored crystalline powder in appearance.
Melting point:
The melting point determination of diphenyl acetic acid (CAS No. 117-34-0) was done following OECD Guideline 102 and according to the metal block capillary method. The test was conducted in replicates and mean melting temperature range was determined to be 140.3 °C-143.5°C at 977.6hPa
Boiling point:
The boiling point determination of diphenyl acetic acid (CAS No. 117-34-0) 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 248.3°C at 976.3 hPa.
Density:
The density of substance diphenyl acetic acid (CAS No. 117-34-0)was determined following OECD Guideline 109 and according to the Adapted from ASTM D854-02 using glass pyknometer. The mean density of substance diphenyl acetic acid is was determined to be 1.199 g/cm³at 20 °C and 977.5 hPa.
Particle Size Distribution:
The particle size distribution of test item diphenyl acetic acid (CAS No. 117-34-0 ) was determined by granulometric analysis with rotap sieve shaker. The particle sizedistribution was determined to be in the range of 150 micron to 25 micron.
Vapor Pressure:
Modified Grain method was used to estimate the vapour pressure of diphenylacetic acid using MPBPVP v1.43 of EPI SUITE. The estimated vapour pressure of diphenylacetic acid at 25 degC was 0.000667 Pa.
Partition Coefficient:
The partition Coefficient n-octanol/water of diphenyl acetic acid(CAS No.117-34-0) 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 biphenyl, cinnamic acid, 3-methylbenzoic acid, dodecanoic acid, n-butylbenzene and naphthalene having Pow value ranging from 2.1 to 4.6. TheLog Pow value was determined to be 3.1729 ± 0.0178 at 25°C.
The experimental octanol - water partition coefficient of diphenyl acetic acid was also determined using Shake – flask method. The study was performed at ambient temperature (i.e 25 deg C).The aqueous phase was analyzed using absorption spectroscopy. The experimental logKOW value for diphenyl acetic acid was determined to be 2.6 at 25 deg C.
Both the experimental values suggests that diphenyl acetic acid is hydrophillic in nature which is also supported by its solubility in water.
Water Solubility:
The water solubility determination of test item diphenyl acetic acid (CAS No. 117-34-0) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of diphenyl acetic acid (CAS: 117-34-0) in water was determined to be 873.0825 mg/l at 29°C.
Data from various authoritative databases suggests that the experimental solubility of diphenyl acetic acid in water at 25 deg C was 127 mg/l.
The experimental values indicates that diphenyl acetic acid is soluble in water.
Surface tension:
From predicted ACD lab data, the surface tension of Diphenylacetic acid (117-34-0) was predicted to be 49.1 ± 3.0 dyne/cm.
Flash point:
The flash point determination of diphenyl acetic acid (CAS No. 117-34-0)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 195.3°C at 976.4hPa.Based on criteria mentioned in CLP regulation the chemical has flash point >than 60 degree C hence thediphenyl acetic acid (CAS No. 117-34-0)was considered to be non-flammable.
Autoflammability:
The substance is a solid having melting point 140.3-143.5 degree C which is less than or equal to 160 deg C. Hence the auto-iginition endpoint was considered for waiver.
Flammability:
Diphenylacetic acid 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 Diphenylacetic acid is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Diphenylacetic acid 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 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 diphenyl acetic acid (CAS No 117-34-0) was done following OECD guideline 122. pH of 1% w/v dispersion was measured with the help of pH meter and it was observed to be 3.72at 28 °C. Based on the value, diphenyl acetic acid (CAS No 117-34-0) was considered to be acidic in nature.
Viscosity:
The study does not need to be conducted because the substance is a solid
Additional information
Appearance:
On the basis of physical observation,the chemical diphenyl acetic acid was observed to be white colored crystalline powder in appearance.
Other supporting studies from reliable sources such as authoritative database and handbook,the chemical diphenyl acetic acid was observed to be white colored crystals in appearance or needles form from water and small plates from alchohol.
Melting point:
The melting point determination of diphenyl acetic acid (CAS No. 117-34-0) was done following OECD Guideline 102 and according to the metal block capillary method. The test was conducted in replicates and mean melting temperature range was determined to be 140.3 °C-143.5°C at 977.6hPa
Other supporting studies from various reliable sources such as authoritative database and handbook,the melting point of chemical diphenyl acetic acid was determined to be in the range of 147 degree C to 149 degree C.
As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of melting point temperature as 140.3 degree C to 143.5 degree C, thus considered as key study for the c-hemical safety assessment.
Boiling point:
The boiling point determination of diphenyl acetic acid (CAS No. 117-34-0) 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 248.3°C at 976.3 hPa.
Other supporting study from authoritative database,the boiling point of chemical diphenyl acetic acid was determined to be 114 degree C at 0.05 torr pressure,
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 248.3 degree C thus considered as key study for the chemical safety assessment.
Density:
The density of substance diphenyl acetic acid (CAS No. 117-34-0)was determined following OECD Guideline 109 and according to the Adapted from ASTM D854-02 using glass pyknometer. The mean density of substance diphenyl acetic acid is was determined to be 1.199 g/cm³at 20 °C and 977.5 hPa.
Other supporting studies from various reliable sources such as handbook and prediction databases,the density of chemical was determined to be 1.257 g/cm3 at 15 degree C (experimental data) and 1.174 ± 0.06 g/cm3 at 20 degree C(predicted data).
As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of density as 1.199 g/cm3 at 20 degree C, thus considered as key study for the chemical safety assessment.
Particle Size Distribution:
The particle size distribution of test item diphenyl acetic acid (CAS No. 117-34-0 ) was determined by granulometric analysis with rotap sieve shaker. The particle sizedistribution was determined to be in the range of 150 micron to 25 micron.
Vapor Pressure:
Modified Grain method was used to estimate the vapour pressure of diphenylacetic acid using MPBPVP v1.43 of EPI SUITE. The estimated vapour pressure of diphenylacetic acid at 25 degC was 0.000667 Pa.
Partition Coefficient:
The partition Coefficient n-octanol/water of diphenyl acetic acid(CAS No.117-34-0) 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 biphenyl, cinnamic acid, 3-methylbenzoic acid, dodecanoic acid, n-butylbenzene and naphthalene having Pow value ranging from 2.1 to 4.6. TheLog Pow value was determined to be 3.1729 ± 0.0178 at 25°C.
The experimental octanol - water partition coefficient of diphenyl acetic acid was also determined using Shake – flask method. The study was performed at ambient temperature (i.e 25 deg C).The aqueous phase was analyzed using absorption spectroscopy. The experimental logKOW value for diphenyl acetic acid was determined to be 2.6 at 25 deg C.
Both the experimental values suggests that diphenyl acetic acid is hydrophillic in nature which is also supported by its solubility in water.
Water Solubility:
The water solubility determination of test item diphenyl acetic acid (CAS No. 117-34-0) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of diphenyl acetic acid (CAS: 117-34-0) in water was determined to be 873.0825 mg/l at 29°C.
Data from various authoritative databases suggests that the experimental solubility of diphenyl acetic acid in water at 25 deg C was 127 mg/l.
The experimental values indicates that diphenyl acetic acid is soluble in water.
Surface tension:
From predicted ACD lab data, the surface tension of Diphenylacetic acid (117-34-0) was predicted to be 49.1 ± 3.0 dyne/cm.
Flash point:
The flash point determination of diphenyl acetic acid (CAS No. 117-34-0)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 195.3°C at 976.4hPa.Based on criteria mentioned in CLP regulation the chemical has flash point >than 60 degree C hence thediphenyl acetic acid (CAS No. 117-34-0)was considered to be non-flammable.
Autoflammability:
The substance is a solid having melting point 140.3-143.5 degree C which is less than or equal to 160 deg C. Hence the auto-iginition endpoint was considered for waiver.
Flammability:
Diphenylacetic acid 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 Diphenylacetic acid is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Diphenylacetic acid 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 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 diphenyl acetic acid (CAS No 117-34-0) was done following OECD guideline 122. pH of 1% w/v dispersion was measured with the help of pH meter and it was observed to be 3.72at 28 °C. Based on the value, diphenyl acetic acid (CAS No 117-34-0) was considered to be acidic in nature.
Viscosity:
The study does not need to be conducted because the substance is a solid
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