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EC number: 460-390-7 | CAS number: 26504-29-0
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Remarks:
- Protocol adapted from the flask method (OECD 105) with slow stirring conditions described in the OECD test guideline 123. The saturation equilibrium was not reached thus no clear conclusion about the test item solubility could be issued
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- GUIDELINE:
Protocol adapted from the flask method (OECD 105) with slow stirring conditions described in the OECD test guideline 123. - Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
- Specific details on test material used for the study:
- Chemical name: BLOCBUILDER DB EA50
Composition: Dibenzyl trithiocarbonate (active ingredient, CAS n° 26504-29-0) in ethyl acetate
Batch number: G07LFP0309
Date of reception in the test facility: 26 February 2018
Expiration date of the test item: 07 July 2018
Internal identification: 0004-18
Appearance: orange liquid
Water solubility: Dibenzyl trithiocarbonate: 0,34 mg/L (according to the SDS)
Relative density: 1.21 g/mL at 20°C
Storage conditions: well-ventilated place, ambient temperature and obscurity - Key result
- Water solubility:
- 362 µg/L
- Conc. based on:
- test mat. (total fraction)
- Incubation duration:
- 24 h
- Temp.:
- 20 °C
- pH:
- 4.5
- Details on results:
- Notes:
1. Many yellow droplets were reported in all test flasks (except the control), at the bottom and at the surface of the preparation and stuck to the magnetic stirrer.
2. Following calculations were performed with Microsoft Excel. The values presented in this report have been rounded. Thus, hand calculations may differ slightly from those presented due to rounding.
3. the test item expiry date was passed at the date of the definitive experiment. A new CoA with an extended expiry date was requested to the sponsor: the new analysis of batch G07LFP0309 has shown that the active ingredient dibenzyl trithiocarbonate content (44.31%) was lower than the content first determined and outside the sponsor specifications 47% - 53% as shown in the test item CoA supplied upon its reception. Since both analysis describe the actual test item composition, this deviation has no impact on the results or on the validity of the study and is considered to have not affected the outcome or the achievement of the study objectives.
DEFINITIVE TEST #1
In all samples the test item was not detected or quantified. For information, detection and quantification limits were 1.07 µg/L and 3.55 µg/L, respectively.
The temperature monitored during the test remained between 19.8°C and 19.9°C (mean 19.8).
All samples were at pH 4.7
Results for the additional test: the test item was not detected in filtered samples, but quantified in raw and centrifuged samples, suggesting an adsorption on filters. However, raw sample should not be considered reliable due to the droplets observed leading to a heterogeneity of measurements, as outlined by the high calculated RSD. Nevertheless, the concentrations of test item measured in the centrifuged sample seem to be relevant. Indeed, the measurements are reproducible (RSD of 13.6% for 6 measurements). The mean has been determined to be 19.9 µg/L. However the overall results obtained from the definitive test #1 were not considered sufficiently reliable to conclude on the test item solubility and are thus disregarded.
DEFINITIVE TEST #2
FLASK METHOD WITH SLOW-STIRRING CONDITIONS
The temperature monitored during the test remained at 20.7°C throughout the test period.
All samples were at pH 4.5.
Specific results on test item raw samples: high test item concentrations were determined. As explained previously raw sample should not be considered reliable due to the droplets observed.
Specific results on test item filtered samples: the test item adsorption on filter is once again verified.
Specific results on test item centrifuged samples: a significant difference between both replicates is observed. In addition, the saturation equilibrium is not reached for both replicates (the replicate A shows a test item concentration decreasing after 48h whereas the test item concentration in the replicate B increases from 24 to 72h). As a consequence no clear conclusion about the test item solubility could be issued from this experiment. Key data are listed below:
Total mean: 135 µg/L
Total SD: 57 µg/L
Total RSD: 42.5 %
Min. value: 78 µg/L
Max. value: 219 µg/L
The test item concentrations were determined in a range from 78 to 219 µg/L.
DEFINITIVE TEST #2
FLASK METHOD
Temperatures were recorded as follows:
• 30°C: range from 30.8 to 32.9°C (mean: 31.8)
• 20°C: range from 20.3 to 20.6°C (mean: 20.4)
All samples were at pH 4.5.
Specific results on test item raw samples and filtered sampled: Conclusions are identical than those for the flask method with slow stirring conditions, these results are disregarded.
Specific results on test item centrifuged samples: once again the saturation equilibrium is not reached thus no clear conclusion about the test item solubility could be issued from this experiment as well. Key data are listed below:
Total mean: 252 µg/L
Total SD: 104 µg/L
Total RSD: 41.3 %
Min. value: 155 µg/L
Max. value: 362 µg/L
The test item concentrations were determined in a range from 155 to 362 µg/L. - Conclusions:
- Due to the test item behavior no clear conclusion could be issued about its water solubility. Its composition (the test item contains ethyl acetate) leads to particular physic-chemical characteristics that do not allow to conduct a reliable solubility test with standard methods (no saturation equilibrium, random solubility etc…). Nevertheless it was demonstrated that the test item concentration reach a maximal concentration in water of 362 µg/L that is closed to the active ingredient solubility of 0.34 mg/L, meaning that the presence of the solvent does not affect the active ingredient water solubility.
- Executive summary:
The water solubility of the test item BLOCBUILDER DB EA50 was assessed using a protocol adapted from the flask method (OECD 105) with slow stirring conditions described in the OECD test guideline 123.
As results obtained were inconsistent with those expected an additional test was also conducted. This test was derived from the test flask method normally designed for soluble substances.
Due to the test item behavior no clear conclusion could be issued about its water solubility. Its composition leads to particular physic-chemical characteristics that do not allow to conduct a reliable solubility test with standard methods (no saturation equilibrium, random solubility etc…). Nevertheless it was demonstrated that the test item concentration reach a maximal concentration in water of 362 µg/L that is closed to the active ingredient solubility of 0.34 mg/L, meaning that the presence of the solvent does not affect the active ingredient water solubility.
The test was run at 19.8°C (min. 19.8°C, max. 19.9°C). Mean of pH values was 4.5.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2009
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- column elution method
- Deviations:
- yes
- Remarks:
- substance coated on glass beads but mixed with water in flasks instead of column
- GLP compliance:
- no
- Type of method:
- column elution method
- Specific details on test material used for the study:
- Chemical name: dibenzyl trithiocarbamate
Batch number: 7HM184.5
Date of reception in the test facility: 05 August 2005
Internal identification: 0023/05
Appearance: orange liquid
Purity: 96.2%
Relative density: 1060 kg/m3 - Water solubility:
- ca. 0.34 mg/L
- Temp.:
- 20 °C
- pH:
- 7
- Details on results:
- The solubility calculated is the average of 2 successive measurements: 0.31 and 0.37 mg/L
- Conclusions:
- Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
Water solubility of dibenzyl trithiocarbonate is measured to be circa 0.34 mg/l - Executive summary:
Water solubility of Dibenzyl Trithiocarbonate has been measured through a method based on OECD Guideline 105. Substance is coated onto glass beads, mixed with ultrapure water and shaked. Samples are analysed in parallel by 2 methods: HPLC/UV and HPLC/MS-TOF.
Based on 2 successive measurements giving 0.31 and 0.37 mg/L, the mean 0.34 mg/L is assumed to be the water solubility of DBTTC.
Referenceopen allclose all
Definitive test #1: Flask test with slow-stirring conditions - Test item determinations
Sampling time (hours) |
Flask |
Test item concentration (µg/L) |
||||
Measure 1 |
Measure 2 |
Measure 3 |
Mean |
RSD (%) |
||
0 |
Control |
<DL |
<DL |
<DL |
<DL |
NA |
Replicate 1 |
<DL |
<DL |
<DL |
<DL |
NA |
|
Replicate 2 |
<DL |
<DL |
<DL |
<DL |
NA |
|
4 |
Control |
<DL |
<DL |
<DL |
<DL |
NA |
Replicate 1 |
<DL |
<DL |
<DL |
<DL |
NA |
|
Replicate 2 |
<DL |
<DL |
<DL |
<DL |
NA |
|
22.5 |
Control |
<DL |
<DL |
<DL |
<DL |
NA |
Replicate 1 |
<DL |
<DL |
<DL |
<DL |
NA |
|
Replicate 2 |
<DL |
<DL |
<DL |
<DL |
NA |
|
26.7 |
Control |
<DL |
<DL |
<DL |
<DL |
NA |
Replicate 1 |
<DL |
<DL |
<DL |
<DL |
NA |
|
Replicate 2 |
<DL |
<DL |
<DL |
<DL |
NA |
|
47.5 |
Control |
<DL |
<DL |
<DL |
<DL |
NA |
Replicate 1 |
<DL |
<DL |
<DL |
<DL |
NA |
|
Replicate 2 |
<DL |
<DL |
<DL |
<DL |
NA |
|
51.8 |
Control |
<DL |
<DL |
<DL |
<DL |
NA |
Replicate 1 |
<DL |
<DL |
<QL |
NA |
NA |
|
Replicate 2 |
<DL |
<DL |
<DL |
<DL |
NA |
|
71.2 |
Control |
<DL |
<DL |
<DL |
<DL |
NA |
Replicate 1 |
<DL |
<DL |
<QL |
NA |
NA |
|
Replicate 2 |
<DL |
<DL |
<DL |
<DL |
NA |
|
75.2 |
Control |
<DL |
<DL |
<DL |
<DL |
NA |
Replicate 1 |
<DL |
<DL |
<DL |
<DL |
NA |
|
Replicate 2 |
<DL |
<DL |
<DL |
<DL |
NA |
< DL (1.07 µg/L): concentration lower than the Detection Limit
< QL (3.55 µg/L): concentration lower than the Quantification Limit
NA: Not Applicable
Definitive test #1: Additional Flask test - Test item determinations
Sample treatment |
Test item concentration (µg/L) |
||||
Measure 1 |
Measure 2 |
Measure 3 |
Mean |
RSD (%) |
|
Filtered |
<DL |
<DL |
<DL |
<DL |
NA |
Sample treatment |
Test item concentration (µg/L) |
||||
Measure 1 |
Measure 2 |
Measure 3 |
Mean |
RSD (%) |
|
Raw sample |
32.1 |
35.0 |
65.3 |
44.1 |
41.7 |
Sample treatment |
Test item concentration (µg/L) |
|||||||
Measure 1 |
Measure 2 |
Measure 3 |
Measure 4 |
Measure 5 |
Measure 6 |
Mean |
RSD (%) |
|
Centrifuged |
17.6 |
16.7 |
17.8 |
22.7 |
21.0 |
23.8 |
19.9 |
13.6 |
< DL (1.07 µg/L): concentration lower than the Detection Limit
< QL (3.55 µg/L): concentration lower than the Quantification Limit
NA: Not Applicable
Definitive test #2: Flask test with slow-stirring conditions – overall results
Sampling time |
Flask |
Sample treatment |
Test item concentration (µg/L) |
|||||
Measure 1 |
Measure 2 |
Measure 3 |
Mean |
SD |
RSD (%) |
|||
24h |
Control |
Raw sample |
<DL |
<DL |
ND |
NA |
NA |
NA |
Replicate A |
Raw sample |
868 |
863 |
585 |
772 |
162 |
21 |
|
Filtered |
<QL |
<DL |
<DL |
<QL |
NA |
NA |
||
Centrifuged |
78 |
77 |
79 |
78 |
1 |
1.3 |
||
Replicate B |
Raw sample |
1310 |
1424 |
1715 |
1483 |
209 |
14 |
|
Filtered |
<DL |
<DL |
0 |
NA |
NA |
NA |
||
Centrifuged |
130 |
131 |
132 |
131 |
1 |
0.8 |
||
48h |
Control |
Raw sample |
<DL |
<DL |
ND |
NA |
NA |
NA |
Replicate A |
Raw sample |
687 |
686 |
662 |
678 |
14 |
2.1 |
|
Filtered |
<QL |
<QL |
<QL |
<QL |
NA |
NA |
||
Centrifuged |
117 |
113 |
113 |
114 |
2 |
1.8 |
||
Replicate B |
Raw sample |
2667 |
2727 |
2600 |
2665 |
64 |
2.4 |
|
Filtered |
<QL |
<QL |
<QL |
<QL |
NA |
NA |
||
Centrifuged |
188 |
189 |
182 |
186 |
4 |
2.2 |
||
72h |
Control |
Raw sample |
<DL |
<DL |
ND |
NA |
NA |
NA |
Replicate A |
Raw sample |
752 |
712 |
676 |
713 |
38 |
5.4 |
|
Filtered |
<QL |
<QL |
<QL |
<QL |
NA |
NA |
||
Centrifuged |
78 |
81 |
81 |
80 |
1 |
1.8 |
||
Replicate B |
Raw sample |
5177 |
5394 |
5297 |
5289 |
109 |
2.1 |
|
Filtered |
<QL |
<QL |
<QL |
<QL |
NA |
NA |
||
Centrifuged |
216 |
217 |
224 |
219 |
4 |
2 |
< DL (1.07 µg/L): concentration lower than the Detection Limit
< QL (3.55 µg/L): concentration lower than the Quantification Limit
ND: Not Determined
NA: Not Applicable
Definitive test #2: Flask test with slow-stirring conditions – focus on raw samples
Sampling time |
Flask |
Test item concentration (µg/L) |
|||||
Measure 1 |
Measure 2 |
Measure 3 |
Mean |
SD |
RSD (%) |
||
24h |
Replicate A |
868 |
863 |
585 |
772 |
162 |
21 |
Replicate B |
1310 |
1424 |
1715 |
1483 |
209 |
14 |
|
48h |
Replicate A |
687 |
686 |
662 |
678 |
14 |
2.1 |
Replicate B |
2667 |
2727 |
2600 |
2665 |
64 |
2.4 |
|
72h |
Replicate A |
752 |
712 |
676 |
713 |
38 |
5.4 |
Replicate B |
5177 |
5394 |
5297 |
5289 |
109 |
2.1 |
Definitive test #2: Flask test with slow-stirring conditions – focus on filtered samples
Sampling time |
Flask |
Test item concentration (µg/L) |
|||||
Measure 1 |
Measure 2 |
Measure 3 |
Mean |
SD |
RSD (%) |
||
24h |
Replicate A |
<QL |
<DL |
<DL |
<QL |
NA |
NA |
Replicate B |
<DL |
<DL |
0 |
NA |
NA |
NA |
|
48h |
Replicate A |
<QL |
<QL |
<QL |
<QL |
NA |
NA |
Replicate B |
<QL |
<QL |
<QL |
<QL |
NA |
NA |
|
72h |
Replicate A |
<QL |
<QL |
<QL |
<QL |
NA |
NA |
Replicate B |
<QL |
<QL |
<QL |
<QL |
NA |
NA |
Definitive test #2: Flask test with slow-stirring conditions – focus on centrifuged samples
Sampling time |
Flask |
Test item concentration (µg/L) |
|||||
Measure 1 |
Measure 2 |
Measure 3 |
Mean |
SD |
RSD (%) |
||
24h |
Replicate A |
78 |
77 |
79 |
78 |
1 |
1.3 |
Replicate B |
130 |
131 |
132 |
131 |
1 |
0.8 |
|
48h |
Replicate A |
117 |
113 |
113 |
114 |
2 |
1.8 |
Replicate B |
188 |
189 |
182 |
186 |
4 |
2.2 |
|
72h |
Replicate A |
78 |
81 |
81 |
80 |
1 |
1.8 |
Replicate B |
216 |
217 |
224 |
219 |
4 |
2 |
|
|
Total mean |
135 µg/L |
|
||||
|
Total SD |
57 µg/L |
|
||||
|
Total RSD |
42.5 % |
|
||||
|
Min. value |
78µg/L |
|
||||
|
Max. value |
219µg/L |
|
Definitive test #2: Flask test - overall results
Sampling time |
Flask |
Sample treatment |
Test item concentration (µg/L) |
|||||
Measure 1 |
Measure 2 |
Measure 3 |
Mean |
SD |
RSD (%) |
|||
24h |
Control |
Raw sample |
<DL |
<DL |
<DL |
<DL |
NA |
NA |
Test flask |
Raw sample |
3183 |
3404 |
3336 |
3308 |
113 |
3.4 |
|
Filtered |
<DL |
<DL |
<DL |
<DL |
NA |
NA |
||
Centrifuged |
357 |
362 |
366 |
362 |
5 |
1.4 |
||
48h |
Control |
Raw sample |
<DL |
<DL |
<DL |
<DL |
NA |
NA |
Test flask |
Raw sample |
942 |
1000 |
1002 |
981 |
34 |
3.5 |
|
Filtered |
<QL |
<QL |
<QL |
<QL |
NA |
NA |
||
Centrifuged |
159 |
147 |
158 |
155 |
7 |
4.3 |
||
72h |
Control |
Raw sample |
<DL |
<DL |
<DL |
<DL |
NA |
NA |
Test flask |
Raw sample |
2422 |
2474 |
2403 |
2433 |
37 |
1.5 |
|
Filtered |
<QL |
<QL |
<QL |
<QL |
NA |
NA |
||
Centrifuged |
236 |
240 |
240 |
239 |
2 |
1 |
< DL (1.07 µg/L): concentration lower than the Detection Limit
< QL (3.55 µg/L): concentration lower than the Quantification Limit
ND: Not Determined
NA: Not Applicable
Definitive test #2: Flask test – focus on raw samples
Sampling time |
Test item concentration (µg/L) |
|||||
Measure 1 |
Measure 2 |
Measure 3 |
Mean |
SD |
RSD (%) |
|
24h |
3183 |
3404 |
3336 |
3308 |
113 |
3.4 |
48h |
942 |
1000 |
1002 |
981 |
34 |
3.5 |
72h |
2422 |
2474 |
2403 |
2433 |
37 |
1.5 |
Definitive test #2: Flask test – focus on filtered samples
Sampling time |
Test item concentration (µg/L) |
|||||
Measure 1 |
Measure 2 |
Measure 3 |
Mean |
SD |
RSD (%) |
|
24h |
<DL |
<DL |
<DL |
<DL |
NA |
NA |
48h |
<QL |
<QL |
<QL |
<QL |
NA |
NA |
72h |
<QL |
<QL |
<QL |
<QL |
NA |
NA |
Definitive test #2: Flask test – focus on centrifuged samples
Sampling time |
Test item concentration (µg/L) |
|||||
Measure 1 |
Measure 2 |
Measure 3 |
Mean |
SD |
RSD (%) |
|
24h |
357 |
362 |
366 |
362 |
5 |
1.4 |
48h |
159 |
147 |
158 |
155 |
7 |
4.3 |
72h |
236 |
240 |
240 |
239 |
2 |
1 |
|
Total mean |
252 µg/L |
|
|||
|
Total SD |
104 µg/L |
|
|||
|
Total RSD |
41.3 % |
|
|||
|
Min. value |
155µg/L |
|
|||
|
Max. value |
362µg/L |
|
Description of key information
DBTTC: water solubility = 0.34 mg/L (column elution method)
DBEA50: water solubility = 0.362 mg/L (flask method)
Key value for chemical safety assessment
Additional information
In the first reliable study following the OECD Guideline 105 performed on dibenzyl trithiocarbonate (DBTTC) by Gancet (2009), the water solubility = 0.34 mg/L (column elution method)
In the second reliable study following the OECD Guidelines 105 & 123 performed on dibenzyl trithiocarbonate in solution in ethyl acetate (DBEA50 ; about 50% v/v) by Chastenet (2018), the water solubility is 0.362 mg/L (flask method)
It was demonstrated that DBEA50 concentration reach a maximal concentration in water of 362 µg/L that is closed to the active ingredient solubility of 0.34 mg/L, meaning that the presence of the solvent does not affect the active ingredient water solubility.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.