Ethyl butyrate

Endpoint summary

Description of key information

Appearance:

On the basis of physical observation,the chemical test chemical was observed to be an organic colourless liquid in appearance.

Freezing point

The Freezing point determination of ETHYL BUTYRATE (CAS No.105-54-4) was done using crushed ice and salt. No freezing was observed up to -11.4 °C. Hence, the freezing point was inferred to be less than -11.4 °C at 968.4 hPa.

Boiling point:

The boiling point determination of test chemical 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 121°C at 972.4 hPa.

Density:

The density of test item test chemical 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 test item was determined to be 0.8665 g/cm³ at 20°C and 973.3 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.Ethyl butyrate is a colorless liquid.

Hence, this endpoint can be considered for waiver.

Vapour Pressure:

The vapour pressure of ethyl butyrate was determined to be 1750 to 7960 Pa within the temperature range of 20-50°C.

Data from various handbooks and authoritative databases suggests that the vapour pressure of test chemical at 20 degC was 1706.526Pa.

Partition Coefficient:

Based on the available data from study report,the partition Coefficient n-octanol/water of test chemical 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 estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were Acetanilide, Acetophenone, Benzophenone, Phenol, Benzene, Biphenyl, Benzyl Benzoate, 1,4-Dichlorobenzene, 1,2,4-Trichlorobenzene, Bromo benzene, 2,3-Dichloroaniline, 2 -Nitrophenol, Nitrobenzene, 2,6-Dichlorobenzonitrile, Diphenylamine, Cinnamyl alcohol, Benzyl alcohol, Naphthalene, Diphenyl ether, Allyl phenyl ether, n-Butylbenzene having Pow value ranging from 1 to 4.6. The Log Pow value of the test chemical was determined to be 2.433 ± 0.004 dimensionless at 25°C. On the basis of this value, test chemical can be considered to be hydrophilic in nature.

Water Solubility:

The water solubility determination of test chemical was done by spectrophotometric method. The water solubility was determine to be 209.46 mg/L at 30°C (Kow= 2.85).

Surface tension:

Surface tension of test chemical was determined to be 0.0245 N/m at 20°C

Flash point

The flash point determination of test chemical was done following closed cup method using Abel’s flash pt apparatus. The test was conducted in replicates and mean flash point was determined to be 28°C at 972.3hPa.

Based on criteria mentioned in CLP regulation the chemical has flash point <than 60 degree C hence the substance was considered to be classified in flammable category 3.

Autoflammability:

From the available data form handbooks and database,the auto-ignition temperature of test chemical is reported as 463°C

Flammability:

Flash point of test substance is observed to be at 26 degree C.

Based on criteria mentioned in CLP regulation the chemical has flash point <than 60 degree C hence the substance was considered to be classified in flammable category 3.

Explosiveness:

In accordance with the adaptation conditions mentioned in column 2 of Annex VII of the REACH regulation, this study was not conducted since there are no chemical groups associated with explosive properties present in the molecule of test chemical

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.

Stability in organic solvents and identity of relevant degradation products :

The study does not need to be conducted because the stability of the substance is not considered to be critical.

pH:

The pH determination of test item test chemical 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 4.18at 29 °C.

Dissociation constant :

The study does not need to be conducted because the substance has no ionic structure.

Viscosity:

Based on available data from authoritative database,the viscosity of test chemical was determined to be 0.71 mPa.s at 15 degree C.

Additional information

Appearance:

On the basis of physical observation,the test chemical was observed to be an organic colourless liquid in appearance.

Other supporting from various reliable sources such as authoritative databases and handbooks,the test chemical was observed to be colorless liquid having  pineapple  like odour.

Freezing point

The Freezing point determination of ETHYL BUTYRATE (CAS No.105-54-4) was done using crushed ice and salt. No freezing was observed up to -11.4 °C. Hence, the freezing point was inferred to be less than -11.4 °C at 968.4 hPa.

Based on available data from various reliable sources such as authoritative databases and handbooks,the freezing point of test chemical was determined  to be -93 degree C.

Other supporting studies from various reliable sources such as authoritative databases and handbooks indicates that the freezing point of  test chemical was determined  to be in the range of -135 degree C to -85 degree C.

Boiling point:

The boiling point determination of test chemical 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 121°C at 972.4 hPa.

Other supporting studies from various reliable sources such as authoritative databases and handbooks,the boiling point of  test chemical was determined  to be in the range of 120 degree C to 121.6 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 121 degree C at 972.4 hpa pressure,thus considered as key study for the chemical safety assessment

Density:

The density of test chemical 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 test item was determined to be 0.8665 g/cm³ at 20°C and 973.3 hPa.

Other supporting studies from various reliable sources such as authoritative databases and handbooks,the density of test chemical was determined  to be in the range of 0.870 g/cm3 to 0.878 g/cm3 to at 20 degree C.

As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of density as 0.879 g/cm3 at 20 degree C and 973.3 hpa pressure,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.Ethyl butyrate is a colorless liquid.

Hence, this endpoint can be considered for waiver.

Vapour Pressure:

The vapour pressure of test chemical was determined to be 1750 to 7960 Pa within the temperature range of 20-50°C.

Data from various handbooks and authoritative databases suggests that the vapour pressure of test chemical at 20 degC was 1706.526Pa.

Partition Coefficient:

Based on the available data in a key study from study report, the partition Coefficient n-octanol/water of test chemical 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 estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were Acetanilide, Acetophenone, Benzophenone, Phenol, Benzene, Biphenyl, Benzyl Benzoate, 1,4-Dichlorobenzene, 1,2,4-Trichlorobenzene, Bromo benzene, 2,3-Dichloroaniline, 2 -Nitrophenol, Nitrobenzene, 2,6-Dichlorobenzonitrile, Diphenylamine, Cinnamyl alcohol, Benzyl alcohol, Naphthalene, Diphenyl ether, Allyl phenyl ether, n-Butylbenzene having Pow value ranging from 1 to 4.6. The Log Pow value of the test chemical was determined to be 2.433 ± 0.004 dimensionless at 25°C.

In a supportingstudy from authoritative database,the partition coefficient (log Pow) value of the test chemical was determined to be 1.71.

Additional study from handbook, peer reviewed journal, authoritative and modelling databaseindicates that the octanol waterpartition coefficient (log Pow) value of the test chemical was estimated to be 1.85.

In an another supporting study fromhandbook, peer reviewed journal and authoritative database, the partition coefficient (log Pow) value of the substance was estimated to be 1.73.

Thus, based on the available information, the logPow valueof the test substance ranges from 1.71 to 2.433, respectively. On the basis of this value, test chemical can be considered to be hydrophilic in nature.

 

Water Solubility:

The water solubility determination of test item was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was determine to be 209.46 mg/L at 30°C (Kow= 2.85) which shows that test chemical moderately soluble in water.

Surface tension:

Surface tension of test chemical was determined to be 0.0245 N/m at 20°C

Flash point:

As per the available data for flash point from reliable handbook and authoritative databases, the flash point value determined was in range from 24 degree C to 28 degree C. As the data from laboratory has K1 reliability and theflash point determination of test chemical was done following closed cup method using Abel’s flash pt apparatus. The test was conducted in replicates and mean flash point was determined to be 28°C at 972.3hPathus it was considered as key study for the chemical safety assessment andbased on criteria mentioned in CLP regulation the chemical has flash point <than 60 degree C hence the substance was considered to be classified in flammable category 3.

Autoflammability:

From the available data form handbooks and database,the auto-ignition temperature of test chemical is reported as 463°C

Flammability:

Flash point of test substance is observed to be at 26 degree C.

Based on criteria mentioned in CLP regulation the chemical has flash point <than 60 degree C hence the substance was considered to be classified in flammable category 3.

Explosiveness:

In accordance with the adaptation conditions mentioned in column 2 of Annex VII of the REACH regulation, this study was not conducted since there are no chemical groups associated with explosive properties present in the molecule of test chemical.

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.

Stability in organic solvents and identity of relevant degradation products :

The study does not need to be conducted because the stability of the substance is not considered to be critical.

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 4.18at 29 °C.

Dissociation constant :

The study does not need to be conducted because the substance has no ionic structure.

Viscosity:

Based on available data from authoritative database,the viscosity of test chemical was determined to be 0.71 mPa.s at 15 degree C.