Registration Dossier

Administrative data

Endpoint:
acute toxicity: inhalation
Data waiving:
other justification
Justification for data waiving:
the study does not need to be conducted because exposure of humans via inhalation is not likely taking into account the vapour pressure of the substance and/or the possibility of exposure to aerosols, particles or droplets of an inhalable size
Justification for type of information:
JUSTIFICATION FOR DATA WAIVING
In accordance with Column 2 of REACH Annex VIII, in addition to the oral route (8.5.1), for substances other than gases, the information mentioned under 8.5.2 (acute toxicity by inhalation) and 8.5.3 (acute toxicity by the dermal route) shall be provided for at least one other route. The choice for the second route will depend on the nature of the substance and the likely route of human exposure In the present case, inhalation exposure will be lower than dermal exposure because the registered substance has a low vapour pressure (0.2 Pa at 25°C) and a low freezing point (-12°C), so the potential for the generation of inhalable forms is low. Dermal exposure is the more likely route of exposure based on physico-chemical properties (Log Kow = 2.61 at 20°C, WS = 1.28 g/L at 20°C).
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Reason / purpose:
data waiving: supporting information
Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From 1st Oct 2010 to 04 Nov 2010
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of relevant results.
Reason / purpose:
reference to other study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Remarks:
Swiss GLP Monitoring Authorities (inspected on 04-05 May 2009 / signed on 17 July 2009)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
other: KowWin calculation method (Epiwin v3.10)
Type:
log Pow
Partition coefficient:
2.46
Temp.:
30 °C
pH:
6
Remarks on result:
other: cis isomer
Key result
Type:
log Pow
Partition coefficient:
2.61
Temp.:
30 °C
pH:
6
Remarks on result:
other: trans isomer
Details on results:
See "Any other information on results incl tables"

Preliminary estimate

A preliminary assessment of the partition coefficient was made based on the KowWin calculation method (Epiwinv3.10) using the structure of the test material:

Approximate Pow: 1230

LogPow estimate: 3.09

 

Test (HPLC method)

The capacity factor was determined using the equation: k = (tr– t0) / t0, where:

K = capacity factor

tr= retention time

t0 = dead time (min)

 

Calibration

The retention times, capacity factors (k) and log10Powvalues for the reference standards are shown in table 4.2.

 

Table 4.2

 

RT 1

RT 2

RT 3

RT 4

RT 5

Mean RT

STD

CV %

K

Log10 K

Log10Pow

 

(min)

(min)

(min)

(min)

(min)

(min)

 

 

 

 

 

 (To) Dead Time

3.70

3.70

3.70

3.70

3.70

3.70

0.00

0.00%

0

-

-

Anisole

7.67

7.68

7.68

7.66

7.68

7.67

0.01

0.12%

1.07

0.031

2.10

EthylBenzoate

8.86

8.86

8.86

8.85

8.87

8.86

0.01

0.08%

1.39

0.144

2.60

Toluene

10.19

10.19

10.20

10.18

10.20

10.19

0.01

0.08%

1.75

0.244

2.70

Ethyl Benzene

12.98

12.99

12.99

12.97

13.00

12.99

0.01

0.09%

2.51

0.400

3.20

Cumene

16.22

16.23

16.24

16.22

16.24

16.23

0.01

0.06%

3.39

0.530

3.70

Biphenyl

18.21

18.24

18.25

18.23

18.26

18.24

0.02

0.11%

3.93

0.594

4.00

 

From the calibration curve (see"background attached material") the following data were obtained:

 

Correlation

0.9921

Slope

3.2128

Intercept

2.0094

 

Partition coefficient of sample

 

The retention times, capacity factors (k) and log10Pow values determined for the sample are shown in table 4.3.

Table 4.3

 

RT 1

RT 2

RT 3

RT 4

RT 5

Mean RT

STD

CV %

K

Log10 K

Log10Pow

 

(min)

(min)

(min)

(min)

(min)

(min)

 

 

 

 

 

 (To) Dead Time

3.70

3.70

3.70

3.70

3.70

3.70

0.00

0.00%

0.00

-

-

isomer 1 (cis)

8.81

8.81

8.80

8.82

8.82

8.81

0.01

0.09%

1.382

0.140

2.46

isomer 2 (trans)

9.38

9.38

9.37

9.39

9.38

9.38

0.01

0.08%

1.535

0.186

2.61

 

RT= Retention time

Mean RT= Mean retention time

STD= standard deviation

CV= coefficient of variation

 

The partition coefficient was calculated using the following equation:

 

Log10Pow =  slope  x   Log10K + intercept

Conclusions:
The substance has low potential to bioaccumulate in the environment, according to CLP classification criteria for aquatic chronic toxicity (log Kow <4).
Executive summary:

Introduction.

Partition Coefficient of the test substance was determined using the HPLC method, EU Method A8 / OECD Method 117.

Method.

A preliminary assessment of the partition coefficient was made based on the KowWin calculation method (Epiwin v3.10) using the structure of the test material; an estimated log P of 3.09 was calculated using this QSAR. The definitive test was carried out using the HPLC method at a slightly acidic pH at which no significant dissociation of the test material occurs.

Results

The substance elutes as two peaks, having logPow values of 2.46 and 2.61 at 30°C, corresponding to cis and trans isomers respectively, based on typical ratio.

Reason / purpose:
data waiving: supporting information
Reference
Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
18th October 1999 to 20th October 1999
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of relevant results.
Qualifier:
according to
Guideline:
EU Method A.4 (Vapour Pressure)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Remarks:
Date of inspection: 23rd March 1998 Date of signature: 21st July 1998
Type of method:
effusion method: vapour pressure balance
Key result
Temp.:
25 °C
Vapour pressure:
0.2 Pa
Transition / decomposition:
no

Summary of results

Run

Log10 [Vp(25°C)]

Vapour pressure (Pa)

1

-0.691

0.204

2

-0.687

0.206

3

-0.748

0.179

Mean vapour pressure = 0.196 Pa

The test material did not change in appearance under the conditions used in the determination.

Please refer to the attached document for graphs produced from the three runs of Log10 Vapour Pressure vs Reciprocal Temperature

Conclusions:
The vapour pressure of ST 03 C 99 was determined to be 0.2 Pa at 25°C.
Low volatility (based on volatility bands criteria for occupational exposure (Chesar / ECETOC TRA), < 500 Pa).
Executive summary:

Method: The vapour pressure was determined using a vapour pressure balance system (effusion method) with measurements being made at several temperatures and linear regression analysis used to calculate the vapour pressure at 25°C. The method employed was based on EU Method A4.

Results: The vapour pressure of ST 03 C 99 was determined to be 0.2 Pa at 25°C.

Reason / purpose:
data waiving: supporting information
Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
23rd December 1994 to 31st March 1995
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of relevant results.
Reason / purpose:
reference to other study
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Remarks:
Date of inspection: 31st January 1994 Date of signature: 16th March 1994
Type of method:
flask method
Specific details on test material used for the study:
Container: metal canister
Storage conditions: Room temperature until 1st December 1994, thereafter room temperature in the dark.
Key result
Water solubility:
1.28 g/L
Incubation duration:
25 - 73 h
Temp.:
20 °C
pH:
6.8 - 7.1

Individual results:

 Equilibration time at 30°C (hours) Concentration (g/L)  pH
 251/2  1.26  7.1
 491/2  1.31  6.9
 731/2  1.27   6.8

Repeatability is less than 15%; therefore results are considered constant (i.e. equilibrium reached), and the retained value is the mean of the three individual results.

Conclusions:
Interpretation of results (migrated information): soluble (1000-10000 mg/L)
The water solubility of ST 02 C 94 was determined to be 1.28 g/L of solution at a temperature of 20.0°C and pH 7.
Executive summary:

Method: The experimental procedure used complied with that specified in EU Method A6, flask method.

Comments: The absorbance of the pair of standards associated with a particular sample were corrected to nominal concentration and the mean value taken prior to the calculation of the sample concentration.

Results: The water solubility of ST 02 C 94 was determined to be 1.28 g/L of solution at a temperature of 20 +/- 0.5°C and pH 6.8 -7.1.

Data source

Materials and methods

Results and discussion

Applicant's summary and conclusion