Study Title 

DETERMINATION OF PHYSICO-CHEMICAL PROPERTIES OF 

TRANS-1-CHLOR0-3,3,3-TRIFLUOROPROPENE 

• Validation of an analytical method • Explosive properties 

• Melting and boiling temperature • Auto-Ignition temperature 

• Water solubility • Oxidizing properties 

• Flash-point • Hydrolysis as a function of pH 

• Flammability (contact with water) • Adsorption coefficient 

• Pyrophorlc properties 

Author 

Dr. K.A. Oudhoff 

Study completion date 

07 July 2010 

Test Facility 

NOTOXB.V. 

Hambakenwetering 7 

5231 DD 's-Hertogenbosch 

The Netherlands 

Laboratory Project Identification 

NOTOX Project 492820 

NOT OX Substance 202044/ A 

- Page 1 of 37 -
5.1 . Preface ........................................................................................................................ 8 

5.2. Aim of the study ........................................................................................................... 8 5.3. Storage and retention of records and materials .......................................................... 8 

6. MATERIALS .......................................................................................................................... 9 

6.1. Test substance ............................................................................................................ 9 6.2. Electronic data capture ................................................................................................ 9 6.3. List of deviations .......................................................................................................... 9 

7. VALIDATION OF AN ANALYTICAL METHOD .................................................................... 10 

7.1. Guideline ................................................................................................................... 10 

7.2. Reagents ................................................................................................................... 10 7.3. Performance of the study .......................................................................................... 10 7.4. Analytical method ...................................................................................................... 11 7.5. Formulas .................................................................................................................... 12 

7.6. Results ....................................................................................................................... 13 

7.7. Conclusion ................................................................................................................. 15 7.8. Figures ....................................................................................................................... 16 

8. MELTING AND BOILING TEMPERATURE ........................................................................ 17 

8.1. Guidelines .................................................................................................................. 17 

8.2. Performance of the test ............................................................................................. 17 

8.3. Analytical conditions .................................................................................................. 18 

8.4. Interpretation ............................................................................................................. 18 8.5. Results ....................................................................................................................... 19 8.6. Conclusion ................................................................................................................. 19 

8.7. Figures ....................................................................................................................... 20 

9. WATER SOLUBILITY .......................................................................................................... 22 

9.1. Guidelines .................................................................................................................. 22 9.2. Reagents ................................................................................................................... 22 9.3. Performance of the study .......................................................................................... 22 

9.4. Analytical method ...................................................................................................... 23 9.5. Interpretation ............................................................................................................. 24 9.6. Results ....................................................................................................................... 25 

9.7. Conclusion ................................................................................................................. 25 

10. FLASH-POINT ..................................................................................................................... 26 

10.1. Guidelines .................................................................................................................. 26 1 0.2. Statement .................................................................................................................. 26 

11. FLAMMABILITY IN CONTACT WITH WATER ................................................................... 27 

11.1. Guideline ................................................................................................................... 27 11.2. Statement .................................................................................................................. 27 

12. PYROPHORIC PROPERTIES ............................................................................................ 28 

12.1. Guideline ................................................................................................................... 28 12.2. Statement .................................................................................................................. 28 

13. EXPLOSIVE PROPERTIES ................................................................................................ 29 

13.1. Guideline ................................................................................................................... 29 13.2. Statement .................................................................................................................. 29 

14. AUTO-IGNITION TEMPERATURE ..................................................................................... 30 

14.1. Guidelines .................................................................................................................. 30 14.2. Performance of the test ............................................................................................. 30 

14.3. Interpretation ............................................................................................................. 31 

14.4. Results ....................................................................................................................... 32 14.5. Conclusion ................................................................................................................. 32 

-Page 2-
SO

ON COEFFICIENT ................... ......................................................................... 35 

17.1. Guidelines .................................................................................................................. 35 

17.2. QSAR ........................................................................................................................ 35 

17.3. Conclusion ................................................................................................................. 35 

APPENDICES 

Appendix I Certificate of analysis .............................................................................................. 36 

Appendix II GLP certificate ........................................................................................................ 37 

-Page 3-
The Organization for Economic Cooperation and Development (OECD) Good Laboratory 

Practice Guidelines (1997). 

Which essentially conform to: 

The United States Food and Drug Administration Good Laboratory Practice Regulations. 

The United States Environmental Protection Agency Good Laboratory Practice Regulations. 

The sponsor is responsible for Good Laboratory Practice (GLP) compliance for all test 

substance information unless determined by NOTOX. 

NOTOX B.V. 

Dr. K.A. Oudhoff 

Study Director 

~-..d\-.o~ 

Dr. lr. E. Baltussen 

Section Head 

Analytical & Physical Chemistry 

-= 

Date: .. O'::f··Ju.b·····29.JQ ........ .. . 

-Page 4-
The dates of Quality Assurance inspections are given below. 

During the on-site process inspections, procedures applicable to this type of study were 

inspected. 

The reporting date is the date of reporting to the Study Director. The QAU report was then 

forwarded to the Test Facility Management. 

Type of 

Inspections Phase/Process 

Study Protocol 

Protocol Amendment 01 

Protocol Amendment 02 

Report 

Protocol Amendment 03 

Process Analytical and physical chemistry 

Test Substance Handling 

Observations/Measurements 

Head of Quality Assurance 

C.J. Mitchell B.Sc. 

A/£¥# 

Date: .. ..... J.. C...-:-J.ul::2D.b 

·Page 5 • 

Start End 

Inspection Inspection Reporting 

date date date 

28-Dec-09 28-Dec-09 28-Dec-09 

25-Jan-10 25-Jan-10 25-Jan-10 

03-Feb-10 03-Feb-10 03-Feb-10 

02-Mar-10 08-Mar-10 08-Mar-10 

07-Jul-10 07-Jul-10 07-Jul-10 

11-Jan-10 18-Jan-10 21-Jan-10 
Analytical method Sanco 3029 successfully validated 

Melting temperature EC A.1 not observed at 

OECD 102 -90 "C ( 183K) 

Boiling temperature ECA.2 19"C (292K) at 1021 ± 1 hPa 

OECD 103 

Water solubility ECA.6 1.90 g/1 stirring for 1, 3 and 

OECD 105 5 hours at 20"C by the 

flask method 

Flash-point ECA.9 technically not possible statement 

UN p. 32.4.1 to be performed 

ISO 2719 

ASTM 093 

Flammability (contact with EC A.12 not flammable statement 

water) UNN.5 

Pyrophoric properties EC A.13 not pyrophoric statement 

UNN.3 

Explosive properties EC A.14 not explosive statement 

UN Test 

series 3 

Auto-ignition temperature EC A.15 380"C at 986.8- 1 035.9 hPa 

DIN 51794 

IEC 79-4 

Oxidizing properties EC A.17 not oxidizing statement 

UN0.2 

-Page 6-
Adsorption coefficient EC C.19 log Koc: 2.16 OSAR 

OECD 121 

-Page 7-
Study Monitor 

Test Facility 

Study Director 

Study Plan 

5.2. Aim of the study 

Grauwmeer 1 

3001 HEVERLEE 

Belgium 

Mr. T. Vink 

NOTOXB.V. 

Hambakenwetering 7 

5231 DD ·s-Hertogenbosch 

The Netherlands 

Dr. K.A. Oudhoff 

Start 

Completion 

13 January 201 0 

29June 2010 

The aim of the study was to determine the following physico-chemical properties for 

T rans-1-chloro-3,3,3-trifluoropropene: 

• Validation of an analytical method 

• Melting and boiling temperature 

• Water solubility 

• Flash-point 

• Flammability (contact with water) 

• Pyrophoric properties 

• Explosive properties 

• Auto-ignition temperature 

• Oxidizing properties 

• Hydrolysis as a function of pH 

• Adsorption coefficient 

5.3. Storage and retention of records and materials 

Records and materials pertaining to the study including protocol, raw data, specimens (except specimens requiring refrigeration or freezing) and the final report are retained in the NOT OX 

archives for a period of at least 2 years after finalization of the report. After this period, the 

sponsor will be contacted to determine how the records and materials should be handled. 

NOTOX will retain information concerning decisions made. 

Those specimens requiring refrigeration or freezing will be retained by NOTOX for as long as the quality of the specimens permits evaluation but no longer than three months after finalization 

of the report. 

NOT OX will retain a test substance sample until the expiry date, but no longer than 10 years after finalization of the report. After this period the sample will be destroyed. 

-Page 8-
Structure 

Molecular formula 

Molecular weight 

CAS Number 

Description 

Batch 

Purity 

Test substance storage 

Stability under storage conditions 

Expiry date 

F)l H)=( F 

Cl H 

C3H2CIF3 

130.49619 

1 02687-65-0 

Clear colourless liquid 

41024-45 

99.99 area% 

At room temperature in the dark 

Stable 

09 December 2010 (allocated by NOTOX, 1 year after 

receipt of the test substance) 

The certificate of analysis is shown in Appendix I. 

6.1.2 Study specific test substance Information 

Test substance handling 

6.2. Electronic data capture 

The cylinder was placed inverted in order to sample the 

test substance 

To keep the test substance liquefied, handling after 

sampling was performed on dry ice 

System control, data acquisition and data processing were performed using the following 

programmes: 

- Empower version 5.00 (Waters, Milford, MA, USA) 

-Advantage Integrity Software version 2.2.1 (TA Instruments, New Castle, DE, USA) 

Temperature and/or relative humidity and/or pressure during sample storage and/or performance of the studies were monitored continuously using the following programme: 

- REES Centron Environmental Monitoring system version SOL 2.0 (REES Scientific, Trenton, NJ, USA) 

6.3. List of deviations 

6.3.1 List of protocol deviations 

There were no deviations from the protocol. 

6.3.2 List of standard operating procedures deviations 

Any deviations from standard operating procedures (SOPs) were evaluated and filed in the 

study file. There were no deviations from SOPs that affected the integrity of the study. 

-Page 9-
p

g 

p

g 

ethods of Analysis in Support 

of Pre-registration Data Requirements for Annex II (Part A, section 4) and Annex Ill (Part A, 

section 5) of Directive 91/414, SANC0/3029/99 rev. 4 (11/07/00). 

1.2. Reagents 

Water 

Acetonitrile 

Tap water purified by a Milli-Q water purification system 

(Millipore, Bedford, MA, USA). 

VWR International, Leuven, Belgium or 

Labscan, Dublin, Ireland. 

All reagents were of analytical grade, unless specified otherwise. 

7.3. Performance of the study 

A gas chromatographic method with flame ionization detection with headspace injection 

(headspace GC-FID) for the quantitative analysis of the test substance in water was developed. 

Validation of the analytical method was performed for the following parameters: 

Specificity 

A test substance solution and blank accuracy sample were analysed by single injection. The 

analytical method was found to be specific if the blank chromatogram showed no response for 

the test substance or a response of < 30% of the limit of quantification. 

Linearity 

Calibration solutions were analysed in duplicate. The response of the calibration solutions was 

correlated with concentration using regression analysis with a 1/concentration2 weighting factor. 

A calibration curve with a coefficient of correlation (r) of > 0.99 and back calculated accuracies 

of the calibration solutions in the range 85-115% was accepted. 

Accuracy and repeatability 

Accuracy samples were analysed by single injection into the analytical system. The analytical 

method was considered applicable for the determination of the test substance if the mean 

accuracy was in the range 70-11 Oo/o and the coefficient of variation was ~ 20%. 

Limit of quantification 

The limit of quantification (LOQ) Is defined as the lowest concentration level at which an 

accuracy in the range 70-110% and a repeatability of~ 20% is demonstrated. The LOQ was 

obtained from the data of the accuracy- and repeatability test. 

Stabiljty of the analvtical system and end solutions 

Calibration solutions were injected throughout the validation sequence including the beginning 

and end. The analytical system and/or end solutions were found to be stable if the coefficient of 

variation on the responses of the solutions was s 20%. 

Stability of stock solutions 

Stock solutions of the test substance were stored at room temperature for at least 12 hours. 

Additional calibration solutions were prepared and analysed by single injection. The stock 

solutions were found to be stable if the coefficient of variation on the response factors of the 

calibration solutions prepared with fresh- and stored stock solutions was ~ 1 Oo/o. 

-Page10-
"-._ ~ 20J 1 ~ 4J u: ?. .. J: I 

I 

' 

·60-

t$.1S'C 

' \ 

0 

Tef11l'!'alure ('C) 

I 

I 

50 tOO ~· VUD TA lnltNtWJW 

Figure 6 DSC curve of the test substance obtained with the second experiment. 

Ae: TA_NOTOX.NL t2640 8t92t ~j '

- ~ ~j §. ~ -IOJ 

u: j ;;; 

., 1 J: l 

,._ .. '0:..------- --\( 

-50i ' 

l ~j ' -11)0· -too ·50 b tOO 

....... Tef11ll!fature ('C) l.kllwrsll Y.C. tO TA lnlln.mlfttt 

Figure 7 DSC curve of the test substance obtained with the third experiment. 

-Page 21 -
European Community (EC), EC no. 440/2008, Part A: Methods for the Determination of 

Physico-Chemical Properties, Guideline A.6: "Water Solubility", Official Journal of the European Union no. L 142, May 31, 2008. 

9.2. Reagents 

Water Tap water purified by a Milli-0 water purification system 

(Millipore, Bedford, MA, USA) 

Double distilled water 

Acetonitrile 

Waldeck, Munster-Roxel, Germany 

VWR International, Leuven, Belgium or 

Labscan, Dublin, Ireland. 

All reagents were of analytical grade, unless specified otherwise. 

9.3. Performance of the study 

Two methods are available for the determination of the water solubility of a test substance: 

1 . Column elution method 

The method is based on the elution of the test substance with water from a column which is 

charged with an inert support material, such as bare silica particles, coated with an excess of 

the test substance. It can be applied to test substances with a water solubility of < 1 o·2 g/1. 

2. Flask method 

The mass concentration of the test substance in aqueous solutions saturated with the test 

substance will be determined after stirring or shaking at a specific temperature for a specific period of time. The method can be used for test substances with a water solubility of <= 1 o·2 g/1. 

For the determination of the water solubility of a liquid test substance, only the flask method can 

be used. The column elution method is not applicable for liquid substances. 

A preliminary test was carried out as a range-finding test prior to performance of the flask 

method. The sample vessels were completely filled with the aqueous phase to avoid head 

space of the test substance. 

Preliminary test 

Test substance was stirred with double distilled water at a nominal concentration of 6.3 g/1 at 20.2 ± 0.6"C for 21 hours. After stirring it was observed that the excess of the test substance 

was evaporated from the water phase i.e. a small gas bell was observed in the sample vial. The 

aqueous phase of test sample was 1 000 times diluted to obtain an end solution of water 

containing 1% (v/v) acetonitrile and concentrations within the calibration range. 

-Page 22-
flask will be stirred for 1 , 3 or 5 hours. 

In each water sample after the stirring periods an excess of the liquid test substance was 

observed at the bottom of the vial. Centrifugation or filtration to remove the excess of the test 

substance was not required since the excess of the test substance was phase separated from the water phase at the bottom of the vial. 

Subamples of the clear aqueous phases were 1 000 times diluted to obtain an end solution of 

water containing 1% (v/v) acetonitrile and concentrations within the calibration range. 

The pH of each of the water mixtures was determined. 

As the blank, the same volume of double distilled water was stirred for 5 hours. The blank 

solution was pretreated identically as the water samples from the flask method. 

9.4. Analytical method 

9.4.1 Analytical conditions 

Quantitative analysis was performed according to the analytical method as validated in 

Chapter 7. 

9.4.2 Preparation of the calibration solutions 

Stock solutions 

Stock solutions of the test substance were prepared in acetonitrile at concentrations of 2050 -

6620 mgll. 

Calibration solutions 

Solutions in the concentration range of 5 - 100 mg/1 or 5 - 230 mg/1 were prepared in acetonitrile from two stock solutions. The solutions were 100 times diluted with water (1 00 1-11 spiked to 10 ml water) to obtain calibration solutions in the concentration range of 0.05- 1 mg/1 

or 0.05-2.3 mg/1. The end solution of the calibration solutions was water containing 1% (v/v) acetonitrile. 

9.4.3 Sample injections 

Calibration solutions were injected in duplicate. Test samples were analysed by single injection. 

9.4.4 Calibration curves 

Calibration curves were constructed using five or six concentrations. For each concentration, 

two responses were used. Linear regression analysis was performed using the least squares method with a 1/concentration2 weighting factor. If necessary a response was excluded from the 

curve since the calibration solution was spiked twice. The coefficient of correlation (r) was 

> 0.99 for each curve. 

-Page 23-
9.4.6 Formulas 

Response (R) 

Maximum difference 

Calibration curve 

Analysed concentration (CA) 

Peak area of the test substance [units] 

highest value -lowest value x 1 OO% 

mean value 

where: 

'mean value' is the mean of the highest and lowest value. 

where: 

CN = nominal concentration [mg/1] 

a slope [units x Vmg] 

b = intercept [units] 

where: 

d = dilution factor 

-Page 24-
the water phase after 21 hours of stirring (i.e. a gas bell was observed in the sample vial). Based on this the main study for the determination of the water solubility was performed at 1, 3, and 5 hours of stirring. 

9.4.8 Main study 

The results for the samples taken at 1, 3 and 5 hours are given in Table 7. 

The maximum difference (MD) of the concentrations determined in the 1, 3 and 5 hour test 

samples was < 15%. According to the guidelines, the water solubility of the test substance is given as the mean value of the analysed concentrations. 

A small response at the retention time of the test substance was observed in the blank treated 

sample. The maximum contribution of the response to the test samples based on peak area 

was 0.24%. Based to this it was considered that the response had no significant effect on the results of the test samples. 

Table 7 Main study • water solubility of the test substance 

Stirring time Analysed Mean MD pH concentration 

[hours] [gil] [gil] [%] 

1 1.86 1.90 4.3 7.6 

3 1.94 7.6 

5 1.89 7.5 

9.7. Conclusion 

The flask method with stirring times of 1, 3 and 5 hours was applied for the determination of the 

water solubility of Trans-1-chloro-3,3,3-trifluoropropene. 

The water solubility of the tesl substance at 20"C was 1.90 g/1. The pH of the aqueous samples 

was 7.5- 7.6. 

-Page 25-
United Nations (UN), UN no. ST/SG/AC.10/11/Rev.4: Recommendations on the Transport of 

Dangerous Goods, Part Ill: Classification Procedures, Test Methods and Criteria Relating to 

Explosives of Class 3, Class 4, Division 5.1 and Class 9, Paragraph 32.4.1: "Non-Viscous 

Flammable Liquids", 2003. 

The International Organization for Standardization (ISO), ISO Guide 2719: "Determination of 

Flash Point- Pensky Martens Closed Cup method", 2002. 

ASTM International, ASTM D 93: "Standard Test Methods for Flash Point by Pensky-Martens 

Closed Cup Tester", December 10, 2002. 

1 0.2. Statement 

According to the guidance for the implementation of REACH the flash point is a relevant 

property for liquids and does not need to be determined for solids or gases at room 

temperature. If a substance is a liquid, the flash-point should be determined by a closed-cup 

method. 

The test substance has a boiling temperature of 19"C (see Chapter 8) and is therefore volatile 

(gas) at room temperature. The closed-cup methods available in the literature are only 

applicable for the determination of flash points of liquefied substances. It was not expected that 

the test substance has a flash point below its boiling temperature. According to this, it was 

technically not possible to determine the flash-point of the test substance. 

The flammability of the gaseous phase of the test substance according to the EC A.11 guideline 

was determined by Chilworth Technology UK in study plan number GLP/104383/A (NOTOX 

project 493726). With this study it was demonstrated that Trans-1-chloro-3,3,3-trifluoropropene is "not a flammable gas". 

-Page 26-
p

, 

y 

, 

United Nations (UN), UN no. ST/SG/AC.1 0/11/Rev.4: Recommendations on the Transport of 

Dangerous Goods, Part Ill: Classification Procedures, Test Methods and Criteria Relating to 

Explosives of Class 3, Class 4, Division 5.1 and Class 9, Test N.5: "Test Method for Substances 

which in Contact with Water Emit Flammable Gases", 2003. 

United Nations (UN), UN no. ST/SG/AC.1 0/11/Rev.4: Recommendations on the Transport of 

Dangerous Goods, Appendix 6: "Screening Procedures", 2003. 

11.2. Statement 

A test substance ls considered flammable when it ignites spontaneously in contact with water, 

or evolves a flammable gas at a minimum rate of C!: 1 litre/kg of the substance per hour. 

The molecular structure of the test substance is shown in Paragraph 6.1 . The test substance 

does not contain groups that might lead to ignition in contact with water and/or to the evolution 

of a flammable gas. Moreover the test substance was dissolved in water during the 

determination of the water solubility (see Chapter 9). It demonstrated that the test substance 

does not ignite spontaneously in contact with water. 

In conclusion, Trans-1-chloro-3,3,3-trifluoropropene is considered 'not flammable' in contact 

with water. 

-Page 27-
p

, 

y 

, 

United Nations (UN), UN no. ST/SG/AC.1 0/11/Rev.4: Recommendations on the Transport of Dangerous Goods, Part Ill: Classification Procedures, Test Methods and Criteria Relating to Explosives of Class 3, Class 4, Division 5.1 and Class 9, Test N.3: "Test Method for Pyrophoric liquids, 2003. 

United Nations (UN), UN no. ST/SG/AC.1 0/11/Rev.4: Recommendations on the Transport of Dangerous Goods, Appendix 6: "Screening Procedures•, 2003. 

12.2. Statement 

A test substance is considered pyrophoric when it ignites within five minutes of coming in 

contact with air. 

The molecular structure of the test substance is shown in Paragraph 6.1. The test substance 

does not contain groups that might lead to Ignition in contact with air. Moreover the test 

substance was handled under normal laboratory conditions during this project. It demonstrated 

that the test substance does not ignite in contact with air. 

In conclusion, Trans-1-chloro-3,3,3-trifluoropropene has no pyrophoric properties. 

-Page 28-
y 

, 

United Nations (UN), UN no. ST/SG/AC.10/11/Rev.4: Recommendations on the Transport of Dangerous Goods, Part 1: Classification Procedures, Test Methods and Criteria Relating to Explosives of Class 1, Section 13: "Test Series 3". 2003. 

United Nations (UN), UN no. ST/SG/AC.10/11/Rev.4: Recommendations on the Transport of Dangerous Goods, Appendix 6: "Screening Procedures", 2003. 

13.2. Statement 

A test substance is considered explosive when it can react to produce very rapid increases in 

temperature or pressure. 

The molecular structure of the test substance is shown in Paragraph 6.1 . The test substance 

does not contain chemical groups which are associated with explosive properties. 

9.4.9 Oxygen balance 

The test substance has no oxygen in its molecular structure. According to this, the oxygen balance was not determined 

In conclusion, Trans-1-chloro-3,3,3-trifluoropropene has no explosive properties. 

·Page 29-
Deutsches lnstitut fur Normung (DIN), DIN Guide 51794: "Determining the Ignition Temperature 

of Petroleum Products", May 2003. 

International Electrotechnical Commision (IEC), IEC standard 79-4: "Electrical Apparatus for 

Explosive Gas Atmospheres, Part 4, Method of Test for Ignition Temperature", 1975. 

14.2. Performance of the test 

The auto-ignition temperature of the test substance was determined using a commercially 

available auto-ignition temperature apparatus (Chilworth Technology, Southampton, UK). The 

method is applicable to test substances with an auto-ignition temperature in the range 75"C • 

650"C. 

In every ignition test, liquefied test substance was introduced into a preheated test vessel using 

a volumetric pipette. It was observed visually whether a reaction (clearly perceptible flame 

and/or explosion) of the sample within five minutes after introduction took place at the prevailing 

temperature. After each ignition test, any vaporizable components left in the flask were blown 

out with air (Air Products, Amsterdam, The Netherlands). 

To keep the test substance liquefied, the test substance container was kept on dry ice. 

9.4.1 0 Preliminary test 

Starting at 200"C, every 20"C temperature rise, 70 f.ll test substance was introduced into the 

test vessel until ignition of the test substance was first observed (i.e. at 420"C). 

Starting at 430"C, every 5 "C decreased, 70 f.ll test substance was tested until no ignition of the 

test substance has been observed. The temperature at which ignition was last observed is the 

estimated auto-ignition temperature. 

9.4.11 Main study 

Three tests were performed. The sample volumes applied and temperature range of each test 

are given below. Starting at the "high temperature", every 2"C decreased, the prevailing volume 

of test substance was tested until no ignition of the test substance has been observed. The 

temperature at which ignition was last observed is the auto-ignition temperature at the sample 

volume applied. This procedure was repeated with the other volumes until a minimum auto· 

ignition temperature for each test was obtained. With these results the auto-ignition temperature 

of the test substance was determined. 

The atmospheric pressure during the performance of the main study was between 986.8 and 

1035.9 hPa. 

-Page 30-
Test 2 140 404 392 

190 399 385 

225 406 394 

Test 3 150 409 399 

175 399 387 

300 408 400 

14.3. Interpretation 

The degree of auto-ignitability is expressed in terms of the auto-ignition temperature. The auto- ignition temperature is the lowest temperature at which the test substance ignites when mixed with air under the conditions defined in the test method. 

-Page 31 -
The results of the main study on the determination of the auto-ignition temperature of the test substance are given in Table 8. 

Ignition of the test substance within 5 minutes after introduction was observed with each sample volume and with each test a minimum auto-ignition temperature was obtained. The maximum 

deviation between the three values was< 20"C. According to the guidelines, no further testing 

was required. 

The lowest temperature at which ignition of the test substance occurred was 383"C. This 

temperature was rounded off to the nearest multiple of 5"C giving an auto-ignition temperature of the test substance of 380"C. 

TableS Main study- auto-Ignition temperature of the test substance 

Test Volume Auto-ignition Ignition delay Colour of the Minimum 

temperature flame auto-ignition 

temperature M ["C~ [sl rcc1 

1 70 400 4 orange/blue 383 

100 383 7 orange/blue 

120 388 5 orange/blue 

2 140 398 3 orange/blue 391 

190 391 5 orange/blue 

225 400 4 orange/blue 

3 150 405 4 orange/blue 393 

175 393 4 orange/blue 

300 406 3 orange/blue 

14.5. Conclusion 

Commercially available auto-ignition temperatures apparatus was used for the determination of 

the degree of auto-ignitability of Trans-1-chloro-3,3,3-trifluoropropene. 

The test substance is auto-ignitable with an auto-ignition temperature at 986.8- 1035.9 hPa of 380"C. 

-Page 32-
United Nations (UN), UN no. ST/SG/AC.10/11/Rev.4: Recommendations on the Transport of Dangerous Goods, Part Ill: Classification Procedures, Test Methods and Criteria Relating to Explosives of Class 3, Class 4, Division 5.1 and Class 9, Test 0.2: "Test for Oxidizing Liquids", 

2003. 

United Nations (UN), UN no. ST/SG/AC.1 0111/Rev.4: Recommendations on the Transport of Dangerous Goods, Appendix 6: "Screening Procedures", 2003. 

15.2. Statement 

A test substance is considered an oxidizing substance when a of the substance and cellulose in 

a 1:1 ratio (by mass) spontaneously ignites or the mean pressure rise time of the mixture is less 

than or equal to mean pressure rise time of a 1:1 reference mixture (by mass) of 65% aqueous nitric acid and cellulose 

The molecular structure of the test substance is shown in Paragraph 6.1. The test substance 

does not contain groups that act as an oxidizing agent. The halogen atoms that are present in the molecular structure of the test substance are chemically bonded to carbon or hydrogen. 

In conclusion, Trans-1-chloro-3,3,3-trifluoropropene has no oxidizing properties. 

-Page 33-
European Community (EC), EC no. 440/2008, Part C: Methods for the Determination of 

Ecotoxicity, Guideline C.7: "Degradation- Abiotic Degradation: Hydrolysis as a Function of pH", 

Official Journal of the European Union no. L 142, May 31, 2008. 

16.2. Statement 

According to the guidelines, the hydrolysis preliminary test should be conducted at 50'C for 

5 days to determine whether a test substance is hydrolytically unstable. When it is known that a 

compound is hydrolytically unstable, a hydrolysis test at three temperatures in the range of 

10-70'C should be conducted to determine the hydrolysis rate of 25'C. 

Neither the preliminary test nor the hydrolysis test can technically be performed for the test 

substance according to the following information: 

It is demonstrated that the test substance has a boiling temperature of 19 'C (see Chapter B) 

and evaporates from aqueous samples when stirring for 21 hours at 20'C (see Chapter 9). It is 

technically not possible to keep the test substance in aqueous solutions for 5 days at 50 'C 

and/or for a relatively long period of time at 10-70 'C. 

In addition, no readily hydrolysable functional groups, such as esters or amides are in the 

molecular structure of the test substance. 

·Page 34-
q

g

p

y (

PLCr, January 22, 2001. 

European Community (EC), EC no. 440/2008, Part C: Methods for the Determination of 

Ecotoxicity, Guideline C.19: "Estimation of the Adsorption Coefficient (l<oc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC)", Official Journal of the European Union no. L 142, May 31, 2008. 

Technical Guidance document in support of Commission Directive 93/67/EEC on Risk 

Assessment tor new notified substances and Commission Regulation (EC) 1488/94 on Risk Assessment for existing substances. Part Ill Use of (Quantitative) Structure Activity Relationships ((Q)SARs), pages 532- 543. 

17.2. QSAR 

The Koc of the test substance was determined using a quantitative structure activity relationship (QSAR). 

Based on the water solubility of the test substance, the compound is classified as "nonhydrophobics". For this chemical class, the log Kocis given as: 

logK0 c =0.521ogP0w +1 .02 

The partition coefficient of the test substance given as the log Pow is 2.2. The result was determined by CERI Japan using a HPLC method. A copy of the report with study number 83219 was supplied by the sponsor and is archived in the raw data. Using the value of 2.2, the log Koc value of the test substance is 2.16 (l<oc : 1.46 x 1 02) . 

17.3. Conclusion 

A QSAR calculation was used for the determination of the Koc of Trans-1-chloro-3,3,3-trifluoropropene. The Koc and log Koc value of the test substance was: 

1<,.., IOQ Koc 

Test substance 1.46x102 2.16 

·Page 35 • 
Honeywell International Buffalo Research Laboratory 20 Peabody Street Buffalo, New York 14210 

USA 

Material; HCF0-1233zd (E) (E t-Chloro-3,3,3-triftuoropropene) 

SampleiD tt: LOT -41024-45 AR#495Ui 

Assay: 99.99area% 

Organic Impurities In area % HCF0-1233zd (Z) 0.0016 Others 0.0039 

Certified by: 

John L. Welch 

Sr. Technical Manager Analytical Service.~ 

lll/04/09 

-Page 36 • 

I 

I 

I 

I 

I 

I 

I 

l 

l 
ENDORSEMENT OF COMPLIANCE 

WITH THE OECO PRINCIPLES OF 

GOOD LABORATORY PRACTICE 

Pursuant to the Netherlands GLP Compliance Monitoring Programme and 

according to Directive 2004/9/EC, the confonnity with the OECD Principles of GLP 

was assessed on 16- 20 February, 2009 at 

NOTOXB.V. 

Hambakenwetering 7 

5231 DD 's Hertogenbosch 

It Is herewith confirmed that the afore-mentioned test fac~ity is currently operating 

in compliance with the OECD Principles of Good Laboratory Practice in the 

following area of expertise: Physical-chemical testing; Toxicity studies; Mutagenicity 

studies; Environmental toxicity studies on aquatic and terrestrial organisms; Studies 

on behaviour in water, soil, and air, bioaccumulation; Residue studies; Analytical and 

clinical chemislly testing; Kinetic and metabolism studies, Safety Pharmacology. 

Manager GLP Compliance Monitoring Program 

Food and eor-mer Pnxlucl Safely Aulhcrily f:o/WA) Pltnses ~~~~~ 2, 2585N.. Den Haag 

Postbua 19506. 2600 CM Den Haag 

The~ 

-Page 37-