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EC number: 205-413-1 | CAS number: 140-39-6
Endpoint summary
Administrative data
Description of key information
Appearance
On basis of visual perceptual/Olfactory property, the chemical p-tolyl acetate was colourless liquid in appearance.
Freezing point
The Freezing point determination of p-tolyl acetate (CAS No.140-39-6) was done using crushed ice and salt. No freezing was observed up to -14.41°C. Hence, the freezing point was inferred to be less than -14.41 °C at 977.6 hPa.
Boiling point
The boiling point determination of p-tolyl acetate (CAS No. 140-39-6) 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 208.6°C at 977.7 hPa.
Density
The density of chemical p-tolyl acetate (CAS No. 140-39-6)was determined following OECD Guideline 109 and according to theIS 4730 : 1994 (Reaffirmed 2010) – Method for Determination of Density of Liquids (First Revision) using glass pyknometer. The mean density of chemical p-tolyl acetate was determined to be 1.093 g/cm³ at 20°C and 974.5 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. The chemical p-tolyl acetate was colourless liquid in appearance. Hence this endpoint was considered for waiver.
Vapour Pressure
Data from handbooks and authoritative databases indicate that estimated vapor pressure for p-tolyl acetate at 25 deg C was 0.164mm Hg (21.864 Pa).
Partition coefficient
The experimental octanol - water partition coefficient ofp-tolyl acetatewas 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 p-tolyl acetatewas determined to be 2.11 at 25 deg C, indicating that the p-tolyl acetate is hydrophilic in nature.
Water Solubility
WSKOW v1.42 was used to estimate the water solubility of p-tolyl acetate. The estimated water solubility of p-tolyl acetate at 25 deg C was 1195 mg/l. This value indicates that p-tolyl acetate is soluble in water.
Surface tension
From predicted ACD lab data, the surface tension of p-tolyl acetate (CAS No. 140-39-6) was predicted to be 34.1 ± 3.0 dyne/cm.
Flash point
The flash point determination of p-tolyl acetate (CAS No. 140-39-6)was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was found to be 93°C at 977.5hPa.
Auto flammability
p-tolyl acetate did not catch fire on being exposed to air at room temperature of 27°C and atmospheric pressure of 966 hPa. This indicates that p-tolyl acetate is not auto-flammable.
Flammability
The experimental value of flash point for the test substance p-tolyl acetate is reported as 93°C. Based on this flash point, it can be concluded that the chemical p-tolyl acetate is unlikely to be a flammable liquid at ambient temperature and pressure. Thus, this end point was considered for waiver.
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 procedures does not need to be applied.
pH
The pH determination of test item p-tolyl acetate (CAS No 140-39-6) 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 5.23at 28 °C.
Viscosity
The viscosity determination of chemical p-tolyl acetate (CAS No. 140-39-6 )was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Kinematic viscosity (experimental) at 20°C and 40°C is 11.88 mm²/sec and 8.07 mm²/s, respectively. Dynamic viscosity (calculated) of Test item at 20°C and 40°C is 12.98 mPa.S and 8.82 mPa.S, respectively.
Additional information
Appearance
On basis of visual perceptual/Olfactory property,the chemical p-tolyl acetate was colourless liquid in appearance.
Other supporting studies from various reliable sources such as authoritative database and handbooks also suggests that the chemical p-tolyl acetate was colourless liquid in appearance having strong floral odour.
Freezing point
The Freezing point determination of p-tolyl acetate (CAS No.140-39-6) was done using crushed ice and salt. No freezing was observed up to -14.41°C. Hence, the freezing point was inferred to be less than -14.41 °C at 977.6 hPa.
Boiling point
The boiling point determination of p-tolyl acetate (CAS No. 140-39-6) 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 208.6°C at 977.7 hPa.
Other supporting studies from various reliable sources such as authoritative database and handbooks also suggests that the boiling point of chemical p-tolyl acetate was determined to be in the range of 208 degree C to 212.5 degree C and the selected key study value lies in the range as mentioned above.
As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of boiling point as 208.6°C ,thus considered as key study for the chemical safety assessment.
Density
The density of chemical p-tolyl acetate (CAS No. 140-39-6)was determined following OECD Guideline 109 and according to theIS 4730 : 1994 (Reaffirmed 2010) – Method for Determination of Density of Liquids (First Revision) using glass pyknometer. The mean density of chemical p-tolyl acetate was determined to be 1.093 g/cm³ at 20°C and 974.5 hPa.
Other supporting studies from various reliable handbooks suggests that the density of chemical p-tolyl acetate was determined to be in the range of 1.004 g/cm3 to 1.0512 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 1.093 g/cm³ at 20°C and 974.5 hPa, 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.The chemical p-tolyl acetate was colourless liquid in appearance. Hence this endpoint was considered for waiver.
Vapour Pressure
Data from handbooks and authoritative databases indicate that estimated vapor pressure for p-tolyl acetate at 25 deg C was 0.164mm Hg (21.864 Pa).
Partition coefficient
The experimental octanol - water partition coefficient of p-tolyl acetatewas 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 forp-tolyl acetatewas determined to be 2.11 at 25 deg C.
Data from handbooks and various authoritative, modelling databases indicate that experimental logKOW value for p-tolyl acetate was 2.11.
Data from modeling databases indicate that estimated Log KOW value for p-tolyl acetate was 2.14
These value suggests that p-tolyl acetate is hydrophillic in nature, which is also supported by its water solubility.
Water Solubility
WSKOW v1.42 was used to estimate the water solubility of p-tolyl acetate. The estimated water solubility of p-tolyl acetate at 25 deg C was 1195 mg/l.
Also data from handbooks suggests that the estimated water solubility of p-tolyl acetate at 25 deg C was 1200 mg/l.
These values indicate that p-tolyl acetate is soluble in water.
Surface tension
From predicted ACD lab data, the surface tension of p-tolyl acetate (CAS No. 140-39-6) was predicted to be 34.1 ± 3.0 dyne/cm.
Flash point
Various studies for the p-tolyl acetate (CAS No. 140-39-6) were reviewed to summarize the following information:
The flash point determination of p-tolyl acetate (CAS No. 140-39-6)was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was found to be 93°C at 977.5hPa.
From the available handbook, the flash point of p-tolyl acetate(CAS No.- 140-39-6) was determined to be 95 degree C.
As per the available data for flash point from laboratory report and handbook, the flash point value determined was in range from 93 degree C to 95 degree C. As the data from laboratory report has K1 reliability and the test was performed using OECD guidelines which has the value of flash point as 93 °C at 977.5 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 p-tolyl acetate (CAS No.- 140-39-6) was considered to be non-flammable.
Autoflammability
p-tolyl acetate did not catch fire on being exposed to air at room temperature of 27°C and atmospheric pressure of 966 hPa. This indicates that p-tolyl acetate is not auto-flammable.
Flammability
The experimental value of flash point for the test substance p-tolyl acetate is reported as 93°C. Based on this flash point, it can be concluded that the chemical p-tolyl acetate is unlikely to be a flammable liquid at ambient temperature and pressure. Thus, this end point was considered for waiver.
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 procedures does not need to be applied.
pH
The pH determination of test item p-tolyl acetate (CAS No. 140-39-6 ) 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 found to be5.23 at 28 °C. Based on the result , it can be concluded that the p-tolyl acetate is acidic in nature.
Viscosity
The viscosity determination of chemical p-tolyl acetate (CAS No. 140-39-6 )was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Kinematic viscosity (experimental) at 20°C and 40°C is 11.88 mm²/sec and 8.07 mm²/s, respectively. Dynamic viscosity (calculated) of Test item at 20°C and 40°C is 12.98 mPa.S and 8.82 mPa.S, respectively.
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