Phenethyl butyrate

Endpoint summary

Description of key information

Appearance:

On the basis of physical observation the test chemical was colorless to pale yellow colored liquid in appearance.

Freezing Point:

The Freezing point determination of test chemical was done using crushed ice and salt. No freezing was observed up to-10.13°C. Hence, the freezing point was inferred to be less than -10.13°C at 977.4 hPa.

 

Boiling Point:

The boiling point determination of test item 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 260.9°C at 978.2 hPa.

 

Density:

The density of chemical was determined following OECD Guideline 109 and IS 4730 : 1994 (Reaffirmed 2010) – Method for Determination of Density of Liquids (First Revision) according to the using glass pyknometer The mean density of the test item was determined to be 1.056 g/cm³ at 20°C and 978.9hPa.

 

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 is marketed or used in a non solid or granular form. The test substance 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:

Data from various databases suggests that the estimated vapor pressure of test chemical was 0.00859 mm Hg = 11.45 Pa at 25°C.

 

Partition coefficient:

 

 

Water Solubility:

The water solubility determination of test item was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of test item in water was determined to be 1159.02 mg/L at 30°C. Thus the test item is considered to be soluble.

 

Surface Tension:

From the available data, the flash point for test chemical was determined to be 35.4±3.0 dyne/cm.

Flash Point:

The flash point determination of test chemical 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 109.6°C at 977.9hPa.

 

Auto flammability:

Test chemical ignites only when the flame of bunsen burner having temperature of 950°C is brought in contact with it. Thus it can be concluded that substance is flammable only at high temperature of about 950°C.

Flammability:

Test chemical 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 test chemical is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus test chemical was considered non-flammable for chemical safety assessment.

 

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 test chemical. Thus, this end point was considered for waiver and the chemical is considered to be "Non explosive".

 

Oxidizing properties:

In accordance with column 2 of Annex VII of the REACH regulation, the substance 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 oxidizing properties and this study was therefore considered for waiver.

pH:

pH of 1% w/v aqueous solution of the test substance is 7.02 at 25 °C.

Viscosity:

The viscosity determination of test substance was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Dynamic viscosity (calculated) of test chemical at 20°C and 40°C is 22.02mPa.S and 19.96mPa.S, respectively.

Additional information

Appearance:

On the basis of physical observation the test chemical was colorless to pale yellow colored liquid in appearance.

Other supporting studies from reliable sources such as review article and handbook also suggests that the test chemical was colorless liquid in appearance with rose like ,floral and fruity odor.

 

Freezing Point:

The Freezing point determination of test chemical was done using crushed ice and salt. No freezing was observed up to-10.13°C. Hence, the freezing point was inferred to be less than -10.13°C at 977.4 hPa.

 

Boiling Point:

In an experiment, the boiling point determination of test item 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 260.9°C at 978.2 hPa.

Other supporting studies suggest that the boiling point of test chemical was reported to be in the range of 238 degree C to 269.08 degree C.

As the data from experiment has K1 reliability and the test was performed using OECD guidelines which has the value of boiling point temperature as 260.9 degree C thus considered as key study for the chemical safety assessment.

 

Density:

In an experiment, the density of chemical was determined following OECD Guideline 109 and IS 4730 : 1994 (Reaffirmed 2010) – Method for Determination of Density of Liquids (First Revision) according to the using glass pyknometer The mean density of the test item was determined to be 1.056 g/cm³ at 20°C and 978.9hPa.

Other supporting studies suggest that the density of chemical was reported to be in the range of 0.991- 0.994 g/cm3 at 25 degree C.

As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of density 1.056 g/cm3 at 20 degree C, thus it is considered as key study for the chemical safety assessment.

 

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 is marketed or used in a non solid or granular form. The test substance 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:

Data from various databases suggests that the estimated vapor pressure of test chemical was 0.00859 mm Hg = 11.45 Pa at 25°C.

 

Partition coefficient:

 

Water Solubility:

The water solubility determination of test item was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of test item in water was determined to be 1159.02 mg/L at 30°C.Thus the test item is considered to be soluble.

Surface Tension:

From the available data, the flash point for test chemical was determined to be 35.4±3.0 dyne/cm.

Flash Point:

From the various results, database was reviewed to summaries the following information:

The flash point determination of test chemical 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 109.6°C at 977.9hPa.

In a similar study, The flash point for test chemical was determined to be >200 degree C and from another study, the flash point for test chemical was determined to be >100 degree C.

 As per the available data for flash point from laboratory report, authoritative databases and handbook, the flash point value determined was in range from >100 degree C to >200 degree C. As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of flash point as 109.6 °C at977.9 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 test chemical was considered to be non-flammable.

 

Auto flammability:

Test chemical ignites only when the flame of bunsen burner having temperature of 950°C is brought in contact with it. Thus it can be concluded that substance is flammable only at high temperature of about 950°C.

Flammability:

Test chemical 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 test chemical is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus test chemical was considered non-flammable for chemical safety assessment.

 

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 test chemical. Thus, this end point was considered for waiver and the chemical is considered to be "Non explosive".

 

Oxidizing properties:

In accordance with column 2 of Annex VII of the REACH regulation, the substance 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 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 7.02at 29 °C. Based on the result, test item was considered to neutral in nature.

 

Viscosity:

The viscosity determination of test substance was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Dynamic viscosity (calculated) of test chemical at 20°C and 40°C is 22.02mPa.S and 19.96mPa.S, respectively.