General Aspects 

Test item 

Chemical identity 

Batch identification 

Date of production (test item) 

Origin of test item 

PSN 

CAS no. 

Sponsor 

Date of receipt of order 

Date of receipt of test item 

Testing facility 

Study director 

Storage cond. test item 

Test period 

Storage of records 

Storage of sample of test item 

-. ·, I, __ ~ ~ 

Current Production 

April 03, 2007 

Not given 

-

April 24, 2007 

April 25, 2007 

Room temperature 

June 6- October 2, 2007 

Page 1 of 26 
Relative Density 

Surface Tension 

Dissociation Constant {pK.) 

pH value 

Viscosity 

Water Solubility 

Partition Coefficient {P0w) 

Bolllng Temperature 

Vapour Pressure 

Di0 =
Method 

Principle: 

Apparatus: 

Measuring parameters 

Sample weights: 

The determination was carried out in accordance with Guideline 

The melting temperature was measured by Differential Scanning Calorimetry. 

PC controlled DSC instrument (Model DSC 204 of Netzsch), 

calibrated with a set of certified standards. 

Aluminium crucibles 

Balance 

4.95 mg (measurement A) closed crucible 

4.35 mg (measurement B) closed crucible 
Diagrams 

Date of Test 

Head of Laboratory 

An endothermic peak starting at about 220°C with the registered loss of mass shows the vaporization of the test item. 

In order to survey the thermic behaviour of the test item the 

second heating cycles were run up to 580°C. Exothermic decomposition was not observed. 

For DSC-diagram -100°C to aooc (measurement A) see page 

19. 

For DSC-diagram -20°C to 70°C (measurement A) see page 

20. 

For DSC-diagram -50°C to 580°C (Test 1) see page 21. 

September 5- 6, 2007 

2 Determination of the Relative Density 

Summary 

Method 

Principle: 

Apparatus: 

Reagents 

Results 

The determination was carried out in accordance withThe density was measured by the pycnometer method, using 

purified water with one drop of tenside as displacement liquid. 

Pycnometer with a volume of about 25 cm3, officially calibrated 

Balance 

Thermostat with an accuracy of ± 0.02°C 

Temperature measurement system consisting of a resistance 

thermometer and a digital display unit. 

Oscillating densitimeter calibrated with purified water and air. 

Purified water from ELGA-system (displacement liquid) + 

drop of tens/de 

Density determination of the displacement liquid: 

The density was determined using the oscillating densitimeter. 

1st determination: 
Masses are listed in gram. 

Measuring temperature = 20 oc 

The relative density was calculated by division of the density of 

test item at 20°C and the density of water at 4 oc. 

The test item Is solid with a liquid portion at room temperature. 

The test item had been homogenized at about 50°C. 

Date of Test June 20, 2007 

Head of laboratory 
Method 

Reagents 

Analytical Method 

Apparatus: 

Procedure: 

Measurements 

purified water 

test item 1" run 

urement and irreproducible results). 

No statement about the surface-activity of the test item could 

be made. 

Purified water (suitable for ultratrace analysis) 

The force which is required to withdraw a horizontally suspended ring from the surface of the solution is measured. The 

correclls the values automatically according to 

Balance: Model AT 250 of Mettler-Toledo 

Irurnern. model TE 1M of "Lauda 

The force sensor was calibrated with a reference weight before 

each run. 

Preparation of the test item solution: 

About 0.25 g of the test item was weighed into a 250 ml volumetric flask and filled up to the mark using purified water. After 

treating the suspension with ultrasound for 1 o minutes, the test 

item was not completely dissolved. The solution was tempered 

at 20°C for 5 minutes and then the residue was filtered off by 

membrane filtration. 90 ml of the filtered solution were filled up 

to 1 00 ml with purified water. The surface tension of the resulting solution was measured. 

The surface tension of the purified water used was also measured for reference. 

The measurements were carried out using the following parameters: " 

Temperature: 20 ac 

Time between two con- Time for sample Measuring time 

secutive readings preparation 

1 min --- 60min 

2min 23min 175 min 
Results 

Reference measurement with purified water 

Sec mN/m 

31.9 71.22 

316.6 71.50 

617.5 71.35 80 

918.1 71.48 c 

0 75 

1219.3 71.40 'IS 

1520.1 71.37 !!70 

1821.2 71.43 ~ '!! 65 1;1-

2122.1 71.40 't: 

~ 60 

2423.0 71.66 "' 55 2724.1 71.76 

3024.7 72.41 

3325.9 72.28 

3566.8 72.25 

Mean value: 71.4 mN/m 

0 

Surface Tension of l)urified Wolter 

1000 2000 

Time [s] 

Standard deviation: 0.17 mN/m 

3000 

For calculation of mean value and sd only the values of constant measurements obtained after 

900 s up to 2800 s were considered. 

Because of the large number of measurements only about 1 out of 5 values is recorded in the 

table. 

Preparation of test item, 1" run 

Mean 

values is recorded in the 

table. 

4 Determination of the Dissociation Constant 

Summary 

Date of comment: 

Head of laboratory: 

5 Determination of the pH value 

Summary 

Date of comment: 

Head of laboratory: 

6 Determination of the Viscosity 

Summary 

Method 

Principle 

The test item consists of a mixture of hydrocarbons. Because 

of its chemical composition the determination of the dissocia· 

tion constant of an aqueous preparation of the test item is not 

expedient. 

June 6, 2007 

The test item consists of a mixture of hydrocarbons. Because 

of its chemical composition the determination of the pH value 

of an aqueous preparation of the test item is not expedient. 

June 6, 2007 

Kinematic viscosity: 

Dynamic viscosity: 

viscosity was measured by a capillary visco· 

simeter. The dynamic viscosity was calculated by the equation 

11 = v • p (p is density). 
Date of Test 

Head of Laboratory 

The test item is solid with a liquid portion at room temperature. 

September 27 - 28, 2007 

7 Determination of the Water Solubility 

Summary The test item consists of a mixture of aromatic hydrocarbons. 

Different results for the water solubility at 20°C were found, 

depending on the value of surplus of test item applied. 
Method 

Reagents 

Analytical Method 

Apparatus 

Sample preparation/ 

Test parameter 

C content of the test item 

Another 20 mg of test item were mixed with 500 ml of water at 

23°C. After stirring for three days at 23°C, brown amounts of 

test item were visible adhered at the magnetic stirrer. 

Thus the water solubility of the test item was estimated to be 

< 40 mgil. 

Remark: This pre-testing merely shows that c. 40 mg of test 

item are not completely soluble in one liter of water. As the test 

item is not a pure compound but a mixture of compounds with 

possibly different properties, it may be that the water solubility 

of fractions of the test item is higher than 40 mgil. 

The determinations were done according to Annex Commission Directive 92i69iEEC, Part A.6 and OECD Guideline for 

the Testing of Chemicals, 105, flask method. In order to avoid 

evaporation of parts of this hydrocarbon mixture, the working 

temperature was decreased from sooc to 23°C. 

Demineralized water (Milli-Q System); oxalic acid (GKA reference material A 0049i003iMIKRO); phosphoric acid (c. 25%, 

Riedel-de Haen); Na2C03 (GKA reference material A 

0017i002/MIKRO); buffer solution pH= 4.008 (Riedel-de Haen) 

and buffer solution pH = 9.180 (Riedel-de Haen) for testing of 

pH-meter. 

0.51 to 0.55 g were mixed each with 115 ml of water and 5.05 

to 6.39 g of test item were mixed each with 11 0 ml of water 

and then stirred at room temperature (23°C) for 24, 48 and 72 

h. Afterwards the mixtures were conditioned at 20.0°C ± 0.1 oc 

for 24 h and then filtrated. In these solutions TOC was determined. , 

Different sample weights (different amounts of surplus) were 

applied (each c. 5 gil and c. 50 gil) to investigate whether fractions of different solubility are existent (partially solubility). 

TOC: Shimadzu TOC 5000A C: Elementar Vario Mikro Cube 

Combustion of the test item in a stream of oxygen-containing 

helium; determination of C02 using a thermal conductivity detector (TCD) 
TOC content 

Individual Results 

pulsed and determined by IR. 

Subtraction of inorganic C from total C content. 

The carbon content of test item was determined to 91.9 g/1 OOg. 

Sample m test item V water Sample TOG- Corresponding Dissolved pH 

[g] [ml] size content dissolved test item 3

> fraction " 

[g/l]'l [mg/1] 2

> [mg/1] [%] 

Water 

1 6.4 

used 

24 ha 0.55 115 4.8 51 54 1.1 5.9 

24 h b 6.39 110 58.1 100 108 0.2 5.4 

48 ha 0.51 115 4.4 69 74 1.7 6.0 

48 h b 5.10 110 46.4 96 103 0.2 5.3 

72 ha 0.54 115 4.7 68 73 1.6 6.0 

72 h b 5.05 110 45.9 100 108 0.2 5.2 

lJ m testuam related to 1 liter of water; 2

) mg TOG /liter of solution; 31 calculated from the TOC of the test solutions and 

the content of C of the test item, corrected for the blank; 41 dissolved traction of test item relating to sample size 

Result 

Date of Test 

Head of Laboratory 

The test item is water-soluble to some extend. Different results 

for the water solubility were found, depending on the amount of 

test item applied. 

August 24 - September 12, 2007 

8 Determination of the Partition Coefficient n-Octanol/ Water (Pow) 

Summary The test item consists of a mixture of compounds with log Pow 

values in the range from log Pow = 2.4 to log Pow= 5.2 

0.3 area-% (HPLC, Rl-detection) from log Pow= 2.4 to log Pow= 

3.0 
Reagents 

line 117 and Annex to Commission Directive 92/69/EEC, part 

A.B. - HPLC method. 

Demineralized water (Milli-Q System), pH = 6.2; acetonitrile 

(Sigma-Aldrich); solution mixture of the reference compounds 

(A 2572/003/ LC_824, GKA reference material); methylbenzoate (A 2297/003/ LC_824, GKA reference material); buffer solution pH = 4.008 (Riedel-de Haen) and pH= 9.180 (Riedel-de 

Haen) for testing of pH meter. 

Reference Compounds 

Compound log Pow GKA Reference-No. Purity 

value 

Formamide A 2287/003/LC 824 98% 

Methvlbenzoate 2.1 A 2297/003/LC 824 >98% 

Ethylbenzoate 2.6 A 2298/003/LC 824 >99% 

Toluene 2.7 A 2299/003/LC 824 99.9% 

Ethvlbenzene 3.2 A 2301/003/LC 824 99% 

lsopropylbenzene 3.7 A 2304/003/LC 824 99.9% 

n-Butvlbenzene 4.6 A 2306/003/LC 824 99% 

Dibenzyl 4.8 A 2307/003/LC 824 99% 

DDT 6.5 A 2241/002/LC 824 98.2% 

Analytical Method 

Apparatus: Modular HPLC system with UVNIS detector. 

Sample Preparation: 89.59 mg of the test item were dissolved in 25 ml of acetonitrile 

I water = 6 : 4 (v/v) under ultrasonic treatment. 

Measuring parameters: 

For calibration, small amounts of reference compounds (15.9-

129.7 mg) were dissolved in 80 ml of acetonitrile under ultrasonic treatment and then filled up to 100 ml with water. 

Column: 

Mobile phase: 

Flow rate: 

Injection volume: 

Temperature: 

Detector: 

Dead time: 

Purospher RP 18e, 5 pm, 250 x 3 mm 

(Merck) 

acetonitrile I water = 6:4 (v/v) 

pH of water used: 6.2 

0.7 ml/min 

40pl 

23°C 

refractive index (RI), 30°C 

The dead time of the HPLC-system was 

measured with formamide. 
Figures 

Date of Test 

Head of laboratory 

Methyl benzoate 4.3 1.69 0.227 

Ethylbenzoate 5.8 2.63 0.419 

Toluene 7.1 3.44 0.536 

Ethylbenzene 9.7 5.06 0.704 

lsopropylbenzene 13.0 7.13 0.853 

n-Butylbenzene 22.2 12.88 1.110 

Dibenzyl 20.1 11.56 1.063 

DDT 59.4 36.13 1.558 

•'1 Mean value out of two determinations 

2.1 

2.6 

2.7 

3.2 

3.7 

4.6 

4.8 

6.5 
Method 

Results 

Diagram 

Date of Test 

Head of Laboratory 

The test item is a mixture of substances of different volatility, in 

consequence the dynamic method according to OECD Test 

Guideline 103 is not suitable. Therefore the determination of 

the Normal Boiling Point was carried out via vapour pressure 

measurement by the static method according to OECD Test 

Guideline 1 04. 

. Therefore the normal boiling temperature 

could not be determined, because measurements of vapour 

pressures at higher temperatures were not possible. 

The test item was solid with a liquid portion at 25°C. In the 

measured temperature range it was liquid. 

For vapour pressure curve see page 25. 

June 25- 27, 2007 
Results 

Diagram 

Date of Test 

Head of Laboratory 

according to OECD Test Guideline 1 04. 

Temperature Vapour pressure, p/hPa 

t/'C measurement calculation 

T

0

l

T

r

T

m

p

For vapour pressure curve see page 25. 

June 25 - 27, 2007 
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-10.0 

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STATEMENT OF THE QUALITY ASSURANCE UNIT 

The QUALITY ASSURANCE UNIT inspects the laboratories of the department "GKA Competence Center 

An:alvt:ics''' in regular intervals. Besides these i we inspected the following 

Verification of study plan: Apr 27,2007 

Inspection of Date of inspection Reported to 

study director and management 

Conduct of study: 

Relative Density Jun 20,2007 Jun 20,2007 

Water Solubility Aug 27,2007 Aug 27,2007 

Melting Temperature Sep 06,2007 Sep 07,2007 

Raw data: Feb 18-19,2008 Feb 20,2008 

Final report: 

Final Feb 18 -19, 2008 Feb 20,2008 

The final report reflects the raw data.