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Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance:

On the basis of physical observation and using the sense of smell, the 3-phenylpropyl acetate (CAS No.122-72-5) was found to be a clear colourless liquid organic compound.

Freezing point:

The Freezing point of 3-phenylpropyl acetate; CAS No. 122-72-5 was determined using crushed ice + salt. No freezing was observed up to -9.17 °C.

Boiling point:

The mean boiling point of 3-phenylpropyl acetate (CAS No. 122-72-5) was 251.8 °C at 977.1hPa.

Density:

Based on available data from publication and handbook, the density of chemical 3-Phenylpropyl acetate was determined to be in the range of 1.012 g/cm3 to 1.015 g/cm3 at 25 degree C.

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, 3-phenylpropylacetate is marketed or used in a non solid or granular form.The test substance, 3-phenylpropylacetate 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:

The estimated vapor pressure of 3-phenylpropyl acetate was 3.24 Pa at 25 deg C (0.0243 mm Hg).

Partition coefficient:

Data from peer reviewed articles, modelling and authoritative data suggests that the estimated logPow of 3-phenylpropylacetate was 3.06

Water Solubility:

The water solubility for the test item 3-phenylpropyl acetate was found to be 392.148 mg/L at 25°C.

Surface tension:

From the available data of chemspider database , the flash point for3-Phenylpropyl acetate(122 -72 -5) was predicted to be 35.6±3.0 dyne/cm.

Flash point:

The mean flash point of 3-phenylpropyl acetate (CAS No. 122-72-5) was 99°C at 976.3hPa.

Auto flammability:

3-phenylpropyl acetate (CAS No. 122-72-5) did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that  3-phenylpropyl acetate (CAS No. 122-72-5) is not auto-flammable.

Flammability:

3-phenylpropyl acetate (CAS No. 122-72-5) sulfate 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 3-phenylpropyl acetate (CAS No. 122-72-5) is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 3-phenylpropyl acetate (CAS No. 122-72-5) was considered non-flammable.

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 3-Phenylpropyl acetate (CAS No. 122-72-5).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 3-Phenylpropyl acetate (CAS No. 122-72-5). 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 of 1% w/v emulsion of the test item 3-phenylpropyl acetate (CAS No122-72-5) was 4.16 at 26.4 °C.

Additional information

Appearance:

On the basis of physical observation and using the sense of smell, the 3-phenylpropyl acetate (CAS No.122-72-5) was found to be a clear colourless liquid organic compound.

Other supporting data from various reliable handbooks, publication and secondary source, also supported the selected key study and observed the appearance of 3-Phenylpropyl acetate as colorless liquid with spicy,floral odour.

Freezing point:

The Freezing point determination of 3-phenylpropyl acetate (CAS No.122-72-5) was done using crushed ice + salt. No freezing was observed up to -9.17°C. Hence, the freezing point was inferred to be less than -9.17°C at 975.9 hPa.

Other supporting data from reliable handbook, also supported the selected key value and exhibited the freezing point of chemical 3 -Phenylpropyl acetate as -40 degree C.

Boiling point:

The boiling point determination of 3-phenylpropyl acetate (CAS No. 122-72-5) was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and mean boiling point was found to be 251.8 °C at 977.1 hPa.

Other supporting data from secondary source and authoritative database, also supported the selected key study and exhibited the boiling point of chemical 3-Phenylpropyl acetate as in the range of 244 degree C to 245 degree C.

Density:

Based on available data from publication and handbook, the density of chemical 3-Phenylpropyl acetate was determined to be in the range of 1.012 g/cm3 to 1.015 g/cm3 at 25 degree C.

Other supporting data from various handbooks and publications and secondary sources, also supported the selected key study and exhibited the density of chemical 3-Phenylpropyl acetate  as 1.012 g/cm3, 1.012- 1.016 g/cm3 and 1.011 - 1.020  g/cm3 respectively much closer to the selected key value.

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, 3-phenylpropylacetate is marketed or used in a non solid or granular form.The test substance, 3-phenylpropylacetate 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:

Based on available data from, publications, authoritative and modeling databases, estimated the vapor pressure of 3-phenylpropyl acetate as 3.24 Pa at 25 deg C (0.0243 mm Hg).

Partition coefficient:

Data from peer reviewed articles, modelling and authoritative data suggests that the estimated logPow of 3-phenylpropylacetate was 3.06

Water Solubility:

The water solubility determination of test item 3-phenylpropyl acetate (CAS No. 122-72-5) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of (3-phenylpropyl acetate of CAS No: 122-72-5) in water was found to be 392.148 mg/L at 25°C.

Other supporting data from various modelling, authoritative databases and peer reviewed articles also estimated the water solubility of 3-phenylpropylacetate as 136 mg/l at 25 deg C.

Hence, based on experimental value and other supporting value the 3-phenylpropyl acetate is considered to moderately soluble in water.

Surface tension:

From the available data of chemspider database , the flash point for3-Phenylpropyl acetate(122 -72 -5) was predicted to be 35.6±3.0 dyne/cm.

Flash point:

The flash point determination of 3-phenylpropyl acetate (CAS No. 122-72-5) 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 99°C at 976.3hPa.

Other supporting data from handbooks and publications, also supported the selected ket study and exhibited the flash point of 3-Phenylpropyl acetate (122-72-5) as 100 degree C and greater than 93.33 degree C.

Hence based on experimental obtained values the 3-Phenylpropyl acetate (122-72-5) was not classified as flammable.

Auto flammability:

3-phenylpropyl acetate (CAS No. 122-72-5) did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that  3-phenylpropyl acetate (CAS No. 122-72-5) is not auto-flammable.

Flammability:

3-phenylpropyl acetate (CAS No. 122-72-5) sulfate 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 3-phenylpropyl acetate (CAS No. 122-72-5) is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 3-phenylpropyl acetate (CAS No. 122-72-5) was considered non-flammable.

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 3-Phenylpropyl acetate (CAS No. 122-72-5).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 3-Phenylpropyl acetate (CAS No. 122-72-5). 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 3-phenylpropyl acetate (CAS No 122-72-5) 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 4.16at 26.4 °C.