Octyl acetate

Endpoint summary

Additional information

Appearance:

In an experiment conducted by SSS(Europe),on the basis of physical observation ,the chemical octyl acetate was colorless liquid in appearance.

Other supporting studies from reliable sources such as authoritative database and reliable handbook also suggests that the chemical Octyl acetate was colorless liquid in appearance havingorange-jasmine odour.

Freezing point:

In an experiment conducted by SSS(Europe)AB,the Freezing point determination of octyl acetate (CAS No.112-14-1) was done using crushed ice and salt. No freezing was observed up to -14.74°C. Hence, the freezing point was inferred to be less than -14.74°C at 974.5 hPa.

Other supporting studies from various reliable sources such as authoritative database and handbook also suggests that the freezing point of chemical was reported to be in the range of -38.5 degree C to -37 degree C.

As the data from lab has K1 reliability and the test was performed using standard method of analysis which has the value of freezing point temperature as <-14.74 degree C thus considered as key study for the chemical safety assessment.

Boiling point;

In an experiment conducted by SSS(Europe)AB,the boiling point determination of chemical octyl acetate (CAS No. 112-14-1 ) was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The mean boiling point was determined to be 199.6°C at 977.3 hPa.

Other supporting studies from various reliable sources such as handbook and authoritative database also suggests that the boiling point of chemical Octyl acetate was reported to be in the range of 208 degree C to 212 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 199.6 degree C thus considered as key study for the chemical safety assessment.

Density:

In an experiment conducted by SSS(Europe)AB,the density of octyl acetate (CAS No. 112-14-1)was determined following OECD Guideline 109 and according to the IS 4730 : 1994 (Reaffirmed 2010) – Method for Determination of Density of Liquids (First Revision) using glass pyknometer . The mean density of octyl acetate (CAS No. 112-14-1) is was determined to be 0.8355 g/cm³ at 20°C and 974.5 hPa.

Other supporting studies from various handbooks and authoritative database also suggests that the density of chemical was determined to be in the range of 0.865 g/cm3 to 0.8705 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 0.8355 g/cm3 at 20 degree C thus 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, Octyl acetate is marketed or used in a non solid or granular form.The test substance, Octyl acetate is a colorless liquid at room temperature and as such this study is not technically feasible.Hence this endpoint was considered for waiver.

Vapor Pressure:

Data from various modelling databases suggests that the estimated vapor pressure of octyl acetate at 25 deg C was 0.218 mmHg = 29.1 Pa.

Partition coefficient:

Data from various databases suggests that the estimated LogPow of octyl acetate was 3.81

Water Solubility:

Data from various handbooks suggests that octyl acetate is insoluble in water.

WSKOW v1.42 was used to estimate the water solubility of octyl acetate.

The estimated water solubility of octyl acetate was considered as value for chemical safety assessment i.e 33.39 mg/l at 25 deg C

Solubility in organic solvents:

A study was conducted to determine the solubility of octyl acetate in various organic solvents.

Octyl acetate was determined to be miscible in alcohol and soluble in ether and fixed oils.

Surface tension:

In accordance with column 2 of Annex VII of the REACH regulation, this end point was considered for waiver since surface activity is a not a desired property of the octyl acetate,as its is use in flavouring industry.

Flash point:

Various studies for theOctyl acetate(112-14-1) were reviewed to summarize the following information:

The flash point determination of octyl acetate (CAS No. 112-14-1) 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 87.3°C at 976.9hPa. Based on the result the octyl acetate was considered to be non-flammable as per the CLP regulations.

From the available data of authoritative handbooks and database, flash point of Octyl acetate was determined to be 87.778 and 83 degree C.

As per the available data for flash point from laboratory, the flash point value determined was in range from 83 degree C to 87.778 degree C. As the data from laboratory has K1 reliability which has the value of flash point as87.3°C at 976.9hPawithin 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 substance Octyl acetate (CAS No. 112-14-1) was considered to be non-flammable.

Auto flammability:

Based on available data from authoritative database,the self ignition temperature of chemical Octyl acetate was reported to be 220 degree C,which comes under Class T3

Flammability:

Octyl acetate is a colorless liquid. The study does not need to be conducted, since the test substance is liquid. Hence the endpoint can be considered for waiver.

Explosiveness:

A study was performed to determine the explosive limits of Octyl acetate.

The explosive limits for octyl acetate are as follows: Lower explosion limit: ca. 0.8 vol.%, ca. 57 g/m³ Oxidising Properties: The study does not need to be conducted because there are no chemical groups present in Octyl acetate which are associated with oxidising properties, also the study does not need to be conducted since Octyl acetate is a colorless liquid. Hence, this endpoint was considered for waiver. pH

The pH determination of test item octyl acetate (CAS No 112-14-1) was done following OECD guideline 122 from laboratory , has K1 reliability considered as the key study . pH of 1% w/v solution was measured with the help of pH meter and it was observed to be 5.47at 28 °C.. Thus, 1% solution can be considered to be acidic in nature.

Viscocity

The viscosity determination of test substance octyl acetate was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Kinematic viscosity (experimental) of octyl acetate( CAS No. 112-14-1)at 20°C and 40°C is

13.72mm²/secand 12.67mm²/s,respectively.Dynamic viscosity (calculated) of octyl acetate( CAS No. 112-14-1)at 20°C and 40°C is 11.46mPa.Sand

10.58mPa.S, respectively.