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EC number: 202-773-1 | CAS number: 99-62-7
- 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
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
In this justification, the read-across (bridging) concept is applied. Please refer to a full version of Read-across statement attached in the section 13 "Assessment reports".
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
The underlying hypothesis for the read-across is that the target and the source substance have similar toxicological properties (including the same target organs) due to their structural similarity, resemblance to their chemical reactivity, and therefore a similar mode of action.
The source substance ‘Mixture of 1,3-diisopropylbenzene and 1,4-diisopropylbenzene' is a mixture of structural isomers, 1,3- diisopropylbenzene(target substance) and 1,4-diisopropylbenzene. The physico-chemical properties are highly equivalent based on the high structural similarity. As a conclusion, it is scientifically justified to address the endpoint Bioaccumulation: aquatic / sediment with data on this mixture of isomers.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
Source substance: Mixture of 1,3-diisopropylbenzene and 1,4-diisopropylbenzene (Diisopropylbenzene), CAS no. 25321-09-9
structural formula: C12H18
Smiles: CC(C)C1=CC=CC=C1C(C)C
Molecular weight: 162 g/mol
CAS 25321-09-9
EC No 246-835-6
purity: not specified
target substance: 1.3-diisopropylbenzene (or m-DIPB)
structural formula: C12H18
Smiles: CC(C)c1cccc(c1)C(C)C
Molecular weight: 162 g/mol
CAS 99-62-7
EC No 202-773-1
purity: not specified
No additional information is available on purity of the source and the target substances. Both substances are normally of high purity, containing only minor amounts of impurities that do not influence the read-across validity.
3. ANALOGUE APPROACH JUSTIFICATION
Please refer to the full version of the read-across statement attached in the section 13 "Assessment reports".
4. DATA MATRIX
Please refer to the full version of the read-across statement attached in the section 13 "Assessment reports". - Reason / purpose for cross-reference:
- read-across source
- Lipid content:
- ca. 5.052 %
- Time point:
- other: Mean lipid content over the depuration phase (i.e. the midpoint of the depuration phase calculated from the mean lipid values at the end of the uptake phase/start of depuration and the end of the depuration phase).
- Key result
- Conc. / dose:
- ca. 10 µg/L
- Type:
- BCF
- Value:
- 1 628.2 L/kg
- Basis:
- normalised lipid fraction
- Calculation basis:
- kinetic
- Key result
- Conc. / dose:
- ca. 100 µg/L
- Type:
- BCF
- Value:
- 1 708.9 L/kg
- Basis:
- normalised lipid fraction
- Calculation basis:
- kinetic
- Key result
- Conc. / dose:
- ca. 10 µg/L
- Type:
- BCF
- Value:
- 1 726 L/kg
- Basis:
- normalised lipid fraction
- Calculation basis:
- steady state
- Key result
- Conc. / dose:
- ca. 100 µg/L
- Type:
- BCF
- Value:
- 1 892 L/kg
- Basis:
- normalised lipid fraction
- Calculation basis:
- steady state
- Details on results:
- - Mortality of test organisms: There were no observed mortalities in all conditions during the tests.
- Behavioural abnormalities: All fish appeared normal and healthy throughout the test.
- Measurement of test substance in water: Analytical measurements of both isomers 1,3 DIPB and 1,4 DIPB were made in water for the DIPB10 treatment. Due to technical problems (e.g. syringe leaking, power shutdown) some of the sampling points were out of the range of the expected value during the uptake phase (day 1-3). Until the rest of the uptake phase the concentration of the test item remained stable. As the concentrations of the test item were not maintained within ± 20 % of the mean of the measured concentrations values during the uptake phase (see deviation) and as a flow-through exposure system was used, a time-weighted arithmetic mean (TWAM) of the exposure concentration was calculated. This TWAM was calculated according to the procedure described OECD Guidance Document on Aquatic Toxicity Testing of Difficult Substances and Mixtures. Similarly to the DIPB10 treatment, at the highest concentration treatment (DIPB100) some of the sampling points were out of the range of the expected value during the uptake phase. This could be explained as well by some technical limit but also by the solubility of the test item in this condition. Indeed, the concentration of the test item in water tend to increase during the exposition. In this way, as the concentrations of the test item were not maintained within ± 20 % of the mean of the measured concentrations values during the uptake phase (see deviation) and as a flow-through exposure system was used, a time-weighted arithmetic mean (TWAM) of the exposure concentration was calculated for both isomers and the mixture.
- Steady state fish tissue measurements: Analytical measurement of both isomers 1,3 DIPB and 1,4 DIPB were made in fish tissues. While the concentrations of the test item in water were not maintained within ± 20 % during all the test for the DIPB10 treatment, this occurred only between day 1 and day 3 and remained stable after. A steady state is then reached for the last three sampling points (from day 9 to 14) of the uptake phase (three successive analysis made on samples at intervals of at least 2 days are within ± 20 % of each other). Also in the DIPB100 treatment, the concentrations of the test item in water were not maintained within ± 20 % during all the test probably due to its low solubility in water and the fact that this concentration tend to increase during the exposure. As in the DIPB10 condition the steady state was reached from days 9 to 14, the steady state in the DIPB100 condition is therefore empirically considered to be reached for the last four sampling points of the uptake phase (days 7,9,11,14). It was performed, in order to smooth the oscillation of the test item concentration in fish that occurred.
- Growth measurements (length and total wet weight) for individual fish collected during uptake and depuration in each condition. A linear least squares correlation was calculated for the ln(fish weight) vs. day for each condition for the whole study, uptake and depuration phases. An analysis of the covariance was performed and highlighted that there was no significative difference (p<0.05) of the overall fish growth between phase (uptake/depuration) and between all conditions. In this context, fish weight from all conditions were pooled and overall growth rate constant (kg) was calculated by performing a linear least squares correlation on the individual data of the control, solvent control, DIPB10 and DIPB 100 conditions.
-In order to calculate a kinetic BCF for each isomer and the mixture, estimation of the parameters k1 and k2 were performed by using mathematical models and statistical methods made available as an R-package named “bcmfR” (latest version 0.4-18). This package is distributed via OECD website. The choice of the best fit model was based on the normality of the residues (Q-Q plot and Shapiro-Wilk test). For each of the isomers and the mixture for both exposure concentrations, the Box-Cox transformed data was the best fit model. - Validity criteria fulfilled:
- yes
- Conclusions:
- The BCFKgL(L.kg-1) obtained in this study for the test item (mixture of isomers DIPB) was between 1785.1 and 1828.7. The BCFKgL(L.kg-1) for the 1,3-DIPB isomer was between 1628.2 and 1708.9, and the BCFKgL(L.kg-1) for the 1,4-DIPB isomer was between 1902.4 and 1919.4. These results suggest that the individual isomers as well as the mixture of isomers do not meet the Bioaccumulation (B) threshold of 2000 under a PBT/vPvB assessment. These results suggest that the individual isomers as well as the mixture of isomers do not meet the Bioaccumulation (B) threshold of 2000 under a PBT/vPvB assessment.
- Executive summary:
The aim of this study was to obtain laboratory data to determine the bioconcentration factor (BCF) of the test item at two different concentrations in the bluegill (Lepomis macrochirus), through aqueous exposure based on the OECD TG 305 (2012). The test item was a mixture of isomers 1,3-diisopropylbenzene (1,3-DIPB) and 1,4-diisopropylbenzene (1,4-DIPB). Since the test item was poorly soluble under the test condition, stock solutions were prepared in Dimethylformamide, considered as an appropriate solvent. Four different conditions were used during the test: (i) Control, (ii) Solvent Control, (iii) DIPB mixture at 10 μg.L-1(nominal concentration) (DIPB10) and (iv) DIPB mixture at 100 μg.L-1(nominal concentration) (DIPB100). The test solutions were prepared by dilution of the stock solutions with housing water in a mixing chamber and with vigorous stirring to aid dispersion. The test was divided into two phases, the uptake phase which lasted 14 days followed by a depuration phase. The total duration of the test lasted 29 days. No toxic effect of the test item and/or the solvent control were observed.
According to the Guidance on Information Requirements and Chemical Safety Assessment (Chapter R.11: PBT/vPvB Assessment, ECHA; Version 3.0 – June 2017), the resulting BCF that is preferred for a comparison with the bioaccumulation criteria is the kinetic growth corrected and lipid normalised (to 5 % lipids) BCF value (BCFKgL). Moreover, it has to be compared to the BCFSSL. In this study the BCFKgLbased on first order kinetics is in the same order of magnitude than the BCFSSL, indicating clearly that a steady-state has been attained in the uptake phase.
By comparing BCFKgLbetween conditions (DIPB10 and DIPB100) for both isomers (and consequently for the mixture), it is important to note as well that the difference is not clearly marked with 5 % and 1 % of difference, respectively. This calculation was made according to the guidance document on aspects of OECD TG 305 on fish bioaccumulation (2017;§2.5.1). This lack of clear difference between BCFKgLobtained in each condition confirmed as well the low impact of the noted deviation of the study plan. This deviation regarded that the concentration of the test substance in the test chambers was not maintained within +/- 20 % of the mean of the measured values during the uptake phase.
By consequence, the BCFKgL(L.kg-1) obtained in this study for the test item (mixture of isomers DIPB) was between 1785.1 and 1828.7. The BCFKgL(L.kg-1) for the 1,3-DIPB isomer was between 1628.2 and 1708.9, and the BCFKgL(L.kg-1) for the 1,4-DIPB isomer was between 1902.4 and 1919.4. These results suggest that the individual isomers as well as the mixture of isomers do not meet the Bioaccumulation (B) threshold of 2000 under a PBT/vPvB assessment.
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- experimental study
- Adequacy of study:
- other information
- Study period:
- November 2019 to march 2020
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- reference to same study
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
In this justification, the read-across (bridging) concept is applied. Please refer to a full version of Read-across statement attached in the section 13 "Assessment reports".
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
The underlying hypothesis for the read-across is that the target and the source substance have similar toxicological properties (including the same target organs) due to their structural similarity, resemblance to their chemical reactivity, and therefore a similar mode of action.
The source substance ‘Mixture of 1,3-diisopropylbenzene and 1,4-diisopropylbenzene' is a mixture of structural isomers, 1,3- diisopropylbenzene(target substance) and 1,4-diisopropylbenzene. The physico-chemical properties are highly equivalent based on the high structural similarity. As a conclusion, it is scientifically justified to address the endpoint Bioaccumulation: aquatic / sediment with data on this mixture of isomers.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
Source substance: Mixture of 1,3-diisopropylbenzene and 1,4-diisopropylbenzene (Diisopropylbenzene), CAS no. 25321-09-9
structural formula: C12H18
Smiles: CC(C)C1=CC=CC=C1C(C)C
Molecular weight: 162 g/mol
CAS 25321-09-9
EC No 246-835-6
purity: not specified
target substance: 1.3-diisopropylbenzene (or m-DIPB)
structural formula: C12H18
Smiles: CC(C)c1cccc(c1)C(C)C
Molecular weight: 162 g/mol
CAS 99-62-7
EC No 202-773-1
purity: not specified
No additional information is available on purity of the source and the target substances. Both substances are normally of high purity, containing only minor amounts of impurities that do not influence the read-across validity.
3. ANALOGUE APPROACH JUSTIFICATION
Please refer to the full version of the read-across statement attached in the section 13 "Assessment reports".
4. DATA MATRIX
Please refer to the full version of the read-across statement attached in the section 13 "Assessment reports". - Reason / purpose for cross-reference:
- read-across source
- Route of exposure:
- aqueous
- Temp.:
- ca. 25 °C
- Type:
- BCF
- Value:
- >= 503 - <= 1 680
- Remarks on result:
- other: m-diisopropylbenzene
- Remarks:
- Conc.in environment / dose:20 ug/L
- Temp.:
- ca. 25 °C
- Type:
- BCF
- Value:
- >= 546 - <= 3 210
- Remarks on result:
- other: m-diisopropylbenzene
- Remarks:
- Conc.in environment / dose:2 ug/L
- Elimination:
- no
- Details on results:
- Visual observation: normal
The elute showed two peaks on the GC-MS chart.
This is due to the fact that the test substance is an isomeric mixture.
A comparison of the retention times with the pure isomers showed that the peak before the isomeric pure product showed a higher retention time than the peak after the isomeric pure product. The later peak was found to be the P rest.
The GC (FlD detector) analysis showed that the peak containing m-unity was 61.7% and that containing P- rest was 35.5 %.
In this test, the concentrations are expressed as the total amount of the test substance for convenience.
In this test, the concentration is expressed as the amount of the whole sample for convenience.
The actual amount of each component is determined by multiplying this value by the number of skewers contained.
Fish body - Trial fish test
If the concentration in the fish is significantly higher than at the time of the recovery test Dilute the final volume solution accordingly.
Recoveries from the above operation (with 60 females of the substance to be tested)
m-form: 97.7 %
p-form: 98.4 %.
Test water:
recoveries from the procedure:
first concentration zone:
m-form: 88.7 %
p-form 89.4 %
second concentration zone:
m-form: 90.3 %
p-form 89.4 % - Validity criteria fulfilled:
- yes
- Conclusions:
- For m-diisopropylbenzene BCF values were ranging from 503 to 1680 at 20 µg/L and 546 to 3210 at 2 µg/L. The bioconcentration potential is moderately high.
- Executive summary:
In a study conducted similiar to OECD Guideline 305 Cyprinus carpio were exposed to m-/p-diisopropylbenzene concentrations of 2 and 20 µg/L for 56 d (8 weeks). For p-diisopropylbenzene BCF values ranging from 530 to 2300 at 20 µg/L and 512 to 2960 at 2 µg/L were determined and for m-diisopropylbenzene BCF values ranging from 503 to 1680 at 20 µg/L and 546 to 3210 at 2 µg/L. The bioconcentration potential is moderately high.
Referenceopen allclose all
Physicochemical Measurement of Water During the Test
Treatment | Sampling Date | Dissolved oxygen (%) | pH | Conductivity (μS.cm-1) | Hardness (°dH) | Alkalinity (mg.CaCO3-1) | Temperature (°C) |
Control | 9/12/2019 | 91.5 | 7.7 | 349.1 | 11.6 | 207.06 | 21.08 |
16/12/2019 | 96.3 | 7.5 | 351.5 | ||||
23/12/2019 | 88.5 | 7.6 | 341.8 | 10.6 | 189.21 | 21.3 | |
30/12/2019 | 79.2 | 7.5 | 344.1 | 11.8 | 210.63 | 21.4 | |
6/1/2020 | 87.7 | 7.8 | 347.1 | 21.3 | |||
7/1/2020 | 83.2 | 7.5 | 333.8 | 9.94 | 177.429 | 21.4 | |
Solvent control | 9/12/2019 | 90.4 | 7.8 | 343.1 | 10.3 | 183.855 | 21.1 |
16/12/2019 | 88.5 | 7.5 | 337.5 | 21.3 | |||
23/12/2019 | 85.4 | 7.6 | 339.1 | 11.7 | 208.845 | 21.4 | |
30/12/2019 | 78.3 | 7.7 | 342.5 | 11.3 | 201.705 | 21.5 | |
6/1/2020 | 85.5 | 7.6 | 332.1 | 21.5 | |||
7/1/2020 | 81.9 | 7.6 | 334.9 | 9.99 | 178.3215 | 21.4 | |
DIPB10 | 9/12/2019 | 90.2 | 7.8 | 331 | 11.1 | 198.135 | 21.15 |
16/12/2019 | 87.2 | 7.5 | 336.9 | 21.3 | |||
23/12/2019 | 82.2 | 7.6 | 337 | 10.9 | 194.565 | 21.5 | |
30/12/2019 | 81.4 | 7.8 | 342.3 | 11.9 | 212.415 | 21.4 | |
6/1/2020 | 84.2 | 7.7 | 332 | 21.4 | |||
7/1/2020 | 80.7 | 7.7 | 329.6 | 9.22 | 164.577 | 21.5 | |
DIPB100 | 9/12/2019 | 89.9 | 7.7 | 331.1 | 10.9 | 194.565 | 21.11 |
16/12/2019 | 88.3 | 7.4 | 338.3 | 21.1 | |||
23/12/2019 | 86.3 | 7.5 | 340 | 10.9 | 194.565 | 21.5 | |
30/12/2019 | 80.5 | 7.9 | 340.4 | 11.8 | 210.63 | 21.5 | |
6/1/2020 | 91.9 | 7.6 | 340 | 21.5 | |||
7/1/2020 | 84.2 | 7.7 | 328.6 | 10.6 | 189.21 | 21.4 |
Water Concentration of Both Isomers in Each Treatment (ug/L) | ||||||||||
Sampling date | Time | Phase | DIPB10 | DIPB100 | Control* | Solvent control* | ||||
1,3-DIPB | 1,4-DIPB | 1,3-DIPB | 1,4-DIPB | 1,3-DIPB | 1,4-DIPB | 1,3-DIPB | 1,4-DIPB | |||
9/12/2019 | 10:00 | Uptake | 2.163 | 2.74 | 8.231 | 10.645 | <0.478 | <0.582 | <0.478 | <0.582 |
9/12/2019 | 10:00 | Uptake | 2.268 | 2.91 | 8.437 | 10.986 | <0.478 | <0.582 | <0.478 | <0.582 |
9/12/2019 | 10:00 | Uptake | 2.214 | 2.877 | 7.719 | 10.02 | <0.478 | <0.582 | <0.478 | <0.582 |
9/12/2019 | 15:30 | Uptake | 1.634 | 2.068 | 7.542 | 9.535 | NA | NA | NA | NA |
9/12/2019 | 15:30 | Uptake | 1.551 | 1.959 | 7.435 | 9.382 | NA | NA | NA | NA |
9/12/2019 | 15:30 | Uptake | 1.477 | 1.857 | 7.438 | 9.338 | NA | NA | NA | NA |
10/12/2019 | 10:00 | Uptake | 1.718 | 1.976 | 9.9419 | 11.093 | NA | NA | NA | NA |
10/12/2019 | 10:00 | Uptake | 1.64 | 1.995 | 9.544 | 11.948 | NA | NA | NA | NA |
10/12/2019 | 10:00 | Uptake | 1.735 | 2.112 | 8.865 | 10.92 | NA | NA | NA | NA |
10/12/2019 | 15:30 | Uptake | 4.78 | 5.845 | 7.778 | 9.566 | <0.478 | <0.582 | <0.478 | <0.582 |
10/12/2019 | 15:30 | Uptake | 4.59 | 5.834 | 7.279 | 8.949 | <0.478 | <0.582 | <0.478 | <0.582 |
10/12/2019 | 15:30 | Uptake | 4.835 | 5.932 | 7.88 | 9.662 | <0.478 | <0.582 | <0.478 | <0.582 |
11/12/2019 | 9:38 | Uptake | <0.478** | <0.582** | 8.4622 | 10.36 | <0.478 | <0.582 | <0.478 | <0.582 |
11/12/2019 | 9:38 | Uptake | <0.478** | <0.582** | 8.4717 | 10.294 | <0.478 | <0.582 | <0.478 | <0.582 |
11/12/2019 | 9:38 | Uptake | <0.478** | <0.582** | 8.4484 | 10.232 | <0.478 | <0.582 | <0.478 | <0.582 |
11/12/2019 | 15:54 | Uptake | <0.478** | <0.582** | 8.9575 | 11.022 | NA | NA | NA | NA |
11/12/2019 | 15:54 | Uptake | <0.478** | <0.582** | 8.4918 | 10.435 | NA | NA | NA | NA |
11/12/2019 | 15:54 | Uptake | <0.478** | <0.582** | 8.714 | 10.717 | NA | NA | NA | NA |
12/12/2019 | 10:50 | Uptake | 8.577 | 10.671 | 10.128 | 12.499 | <0.478 | <0.582 | <0.478 | <0.582 |
12/12/2019 | 15:22 | Uptake | 3.547 | 4.278 | 8.8 | 10.968 | ||||
13/12/19 | 9:30 | Uptake | 2.349 | 2.809 | 8.521 | 10.421 | <0.478 | <0.582 | <0.478 | <0.582 |
13/12/19 | 15:03 | Uptake | 1.618 | 1.971 | 9.062 | 11.281 | NA | NA | NA | NA |
16/12/19 | 9:23 | Uptake | 2.055 | 2.47 | 10.522 | 12.804 | <0.478 | <0.582 | <0.478 | <0.582 |
16/12/19 | 15:34 | Uptake | 1.624 | 1.974 | 8.261 | 10.015 | ||||
17/12/19 | 10:18 | Uptake | 2.019 | 2.463 | 10.948 | 13.459 | <0.478 | <0.582 | <0.478 | <0.582 |
17/12/19 | 15:12 | Uptake | 2.044 | 2.489 | 10.467 | 13.854 | NA | NA | NA | NA |
18/12/19 | 9:42 | Uptake | 1.755 | 2.19 | 11.264 | 14.355 | <0.478 | <0.582 | <0.478 | <0.582 |
18/12/19 | 15:32 | Uptake | 1.705 | 2.036 | 9.231 | 11.624 | ||||
19/12/19 | 9:04 | Uptake | 1.981 | 2.335 | 11.882 | 14.717 | <0.478 | <0.582 | <0.478 | <0.582 |
19/12/19 | 15:30 | Uptake | 1.958 | 2.338 | 10.245 | 12.799 | NA | NA | NA | NA |
20/12/19 | 11:51 | Uptake | 1.874 | 2.169 | 11.97 | 14.68 | <0.478 | <0.582 | <0.478 | <0.582 |
20/12/19 | 15:13 | Uptake | 1.832 | 2.137 | 13.011 | 16.09 | NA | NA | NA | NA |
23/12/19 | 9:22 | Uptake | 1.793 | 2.07 | 8.799 | 10.5 | <0.478 | <0.582 | <0.478 | <0.582 |
23/12/19 | 14:03 | Depuration | <0.478 | <0.582 | 0.639 | 0.759 | NA | NA | NA | NA |
24/12/19 | 9:07 | Depuration | <0.478 | <0.582 | 0.69 | 0.796 | <0.478 | <0.582 | <0.478 | <0.582 |
3/1/2020 | 10:00 | Depuration | <0.478 | <0.582 | <0.478 | <0.582 | <0.478 | <0.582 | <0.478 | <0.582 |
7/1/2020 | 10:20 | Depuration | <0.478 | <0.582 | <0.478 | <0.582 | <0.478 | <0.582 | <0.478 | <0.582 |
7/1/2020 | 10:20 | Depuration | <0.478 | <0.582 | <0.478 | <0.582 | <0.478 | <0.582 | <0.478 | <0.582 |
7/1/2020 | 10:20 | Depuration | <0.478 | <0.582 | <0.478 | <0.582 | NA | NA | NA | NA |
*not determined when blank | ||||||||||
** In order to calculate an mean exposure concentration when the test chemical is detected but not quantified we used a value of half of the LOQ (OCDE (2019), Guidance Document on Aquatic Toxicity Testing of Difficult Substances and Mixtures, OECD Series on Testing and Assessment, Éditions OECD, Paris, https://doi.org/10.1787/0ed2f88e-en ) |
Time-weighted average (TWA) concentrations (Cw (μg.L-1 )) during the uptake phase | ||||||
Component | DIPB10 | DIPB100 | ||||
Mean | -20% | +20% | Mean | -20% | +20% | |
1,3 DIPB | 2.203 | 1.763 | 2.644 | 9.922 | 7.938 | 11.906 |
1,4 DIPB | 2.663 | 2.130 | 3.196 | 12.253 | 9.802 | 14.704 |
Mixture | 5.166 | 4.133 | 6.199 | 23.540 | 18.832 | 28.248 |
DIPB10 Steady State Fish Tissue Concentration (Cf) | |||
Uptake Phase Day | 1,3 DIPB (μg.g-1) | 1,4 DIPB (μg.g-1) | Mixture DIPB (μg.g-1) |
Day 9 | 4.413 | 6.791 | 11.894 |
Day 9 | 4.257 | 5.850 | 10.729 |
Day 9 | 2.444 | 3.629 | 6.447 |
Day 9 | 4.409 | 5.075 | 10.068 |
Day 9 Mean | 3.881 | 5.336 | 9.785 |
Day 11 | 3.127 | 4.479 | 8.074 |
Day 11 | 2.638 | 3.922 | 6.964 |
Day 11 | 6.113 | 6.358 | 13.239 |
Day 11 | 2.746 | 3.830 | 6.981 |
Day 11 Mean | 3.656 | 4.647 | 8.814 |
Day 14 | 3.712 | 4.747 | 8.980 |
Day 14 | 5.638 | 6.547 | 12.935 |
Day 14 | 3.800 | 4.840 | 9.172 |
Day 14 | 2.815 | 3.414 | 6.613 |
Day 14 Mean | 3.991 | 4.887 | 9.425 |
Day 9-14 Mean | 3.843 | 4.957 | 9.341 |
Day 9-14 Mean - 20 % | 3.074 | 3.965 | 7.473 |
Day 9-14 Mean + 20 % | 4.611 | 5.948 | 11.210 |
DIPB100 Steady State Fish Tissue Concentration (Cf) | |||
Uptake Phase Day | 1,3 DIPB# (μg.g-1) | 1,4 DIPB (μg.g-1) | Mixture DIPB (μg.g-1) |
Day 7 | 19.864 | 26.936 | 49.682 |
Day 7 | 9.332 | 10.904 | 21.482 |
Day 7 | 16.276 | 23.335 | 42.05 |
Day 7 | 20.957 | 22.646 | 46.288 |
Day 7 Mean | 16.607 | 20.955 | 39.875 |
Day 9 | 20.126 | 29.194 | 52.357 |
Day 9 | 8.073 | 11.629 | 20.915 |
Day 9 | 9.644 | 14.596 | 25.732 |
Day 9 | 16.053 | 21.784 | 40.167 |
Day 9 Mean | 13.474 | 19.301 | 34.793 |
Day 11 | 31.809 | 36.840 | 72.876 |
Day 11 | 29.360 | 40.091 | 73.727 |
Day 11 | 31.000 | 44.386 | 80.028 |
Day 11 | 9.552 | 15.907 | 27.027 |
Day 11 Mean | 25.430 | 34.306 | 63.414 |
Day 14 | 19.901 | 28.694 | 51.587 |
Day 14 | 17.218 | 23.425 | 43.145 |
Day 14 | 26.275 | 36.415 | 66.550 |
Day 14 | 18.083 | 29.942 | 45.674 |
Day 14 Mean | 20.369 | 28.369 | 51.739 |
Day 7-14 Mean | 18.970 | 25.733 | 47.455 |
Day 7-14 Mean - 20 % | 15.176 | 20.586 | 37.964 |
Day 7-14 Mean + 20 % | 22.764 | 30.879 | 56.946 |
Lipid Content (%) Wet Weight | ||||
Time | Control | Solvent Control | DIPB10 | DIPB100 |
Day 0 | 1.975 | |||
2.602 | ||||
1.288 | ||||
1.49 | ||||
Day 14 (end of uptake phase) | 3.957 | 3.924 | 5.095 | 3.357 |
2.075 | 5.445 | 5.475 | 3.019 | |
3.474 | 3.178 | 2.605 | 3.49 | |
Day 29 (end of depuration phase) | 5.084 | 6.441 | 6.441 | 5.13 |
4.893 | 5.475 | 6.163 | 6.196 | |
6.341 | 6.104 | 6.104 | 5.433 | |
6.547 | 6.275 | 5.542 | 6.396 | |
--- | --- | 5.054 | 6.859 | |
According to the Guidance Document on Aspects of OECD TG 305 on Fish Bioaccumulation Series on Testing & Assessment No. 264 [ENV/JM/MONO(2017)16]. Fish lipid content is usually measured at three time points during a study. However, these time points can vary, as can the durations of the uptake and depuration phase of studies. This means that an arithmetic mean of the available measurements would not necessarily represent the true, time-weighted average, lipid content. Analysis by Brooke and Crookes (51) showed that there was little difference between several different ways of deriving average lipid content. For simplicity, it is suggested to use the mean lipid content over the depuration phase (i.e. the midpoint of the depuration phase calculated from the mean lipid values at the end of the uptake phase/start of depuration and the end of the depuration phase). In this context, based on fish at the end of the uptake phase and fish at the end of the depuration phase, the fish lipid mean content is 5.052 %. |
Study Results for Individual Isomers and Mixture
1,3 DIPB isomer | 1,4 DIPB isomer | Mixed DIPB | ||||
DIPB 10 µg/L | DIPB 100 µg/L | DIPB 10 µg/L | DIPB 100 µg/L | DIPB 10 µg/L | DIPB 100 µg/L | |
Kinetic BCF | ||||||
kg ( day-1) | 0.0206 | 0.0206 | 0.0206 | 0.0206 | 0.0206 | 0.0206 |
Ln (%) | 5.052 | 5.052 | 5.052 | 5.052 | 5.052 | 5.052 |
k1 (L.kg-1.day-1) | 575.3 | 662.25 | 597.29 | 685.31 | 582.17 | 672.62 |
k2 (day-1) | 0.3703 | 0.4041 | 0.3313 | 0.374 | 0.3434 | 0.3846 |
k2g (day-1) | 0.3497 | 0.3835 | 0.3107 | 0.3534 | 0.3228 | 0.364 |
BCFK (L.kg-1) | 1553.6 | 1638.6 | 1802.7 | 1832.6 | 1695.5 | 1718.7 |
BCFKg (L.kg-1) | 1645.1 | 1726.7 | 1922.2 | 1939.4 | 1803.7 | 1847.7 |
BCFKL (L.kg-1) | 1537.6 | 1621.7 | 1784.1 | 1813.7 | 1678 | 1701 |
BCFKgL (L.kg-1) | 1628.2 | 1708.9 | 1902.4 | 1919.4 | 1785.1 | 1828.7 |
(CI 95%) | (1416.4 -1839.9) | (1483.3 -1934.4) | (1678.8 -2126) | (1673.4 -2165.5) | (1569.9 -2000.3) | (1593.9 -2063.5) |
t1/2g (days) | 1.9821 | 1.8072 | 2.2307 | 1.9616 | 2.1475 | 1.9041 |
Steady-state BCF | ||||||
Cf (mg.kg-1) | 3.843 | 18.97 | 4.957 | 25.73 | 9.341 | 47.45 |
Cw (mg.L-1 ) | 2.203 | 9.222 | 4.957 | 25.73 | 9.341 | 47.45 |
BCFSS (L.kg-1) | 1744 | 1912* | 1861 | 2100* | 1790 | 2016* |
BCFSSL (L.kg-1) | 1726 | 1892* | 1842 | 2078* | 1808 | 1995* |
*These data have to be taken with care because the steady state was empirically considered to be reached for the last four sampling points of the uptake phase |
Measured value
Table 1-1 Concentration in water tank (weighted average) (Unit: ppb (W/V))
| 1 W | 2 W | 4 W | 6 W | 8 W |
First concentration zone | 9.48 | 10.4 | 11.5 | 11.7 | 12.0 |
Second concentration zone | 0.811 | 0.914 | 1.02 | 1.05 | 1.11 |
Table 1-2 Tank concentration (for each peak) (Unit: ppb (W/V))
|
| 1 W | 2 W | 4 W | 6 W | 8 W |
|
First concentration zone | m-form | 9.80 | 10.8 | 11.9 | 12.1 | 12.3 |
|
p-form | 8.92 | 9.81 | 10.8 | 11.0 | 11.5 | ||
Second concentration zone | m-form | 0.851 | 0.961 | 1.08 | 1.11 | 1.16 |
|
| p-form | 0.742 | 0.833 | 0.919 | 0.955 | 1.02 |
|
Concentration test results
Table 2-1 Enrichment factor for reagents (weighted average)
| 1 W | 2 W | 4 W | 6 W | 8 W |
First concentration zone | 1030 | 1610 | 743 | 1710 | 900 |
1210 | 760 | 1240 | 513 | 1910 | |
1590 | |||||
Second concentration zone | 1050 | 1550 | 1140 | 1510 | 3120 |
1040 | 534 | 817 | 1300 | 1140 | |
972 |
Table 2-2 Concentration factor of the substance to be tested (m-form)
| 1 W | 2 W | 4 W | 6 W | 8 W |
|
First concentration zone | 1110 | 1660 | 756 | 1500 | 857 |
|
1280 | 771 | 1370 | 503 | 1680 | ||
1400 |
| |||||
Second concentration zone | 858 | 1400 | 1200 | 1600 | 3210 |
|
1160 | 546 | 840 | 1180 | 1250 | ||
1050 |
Table 2-3 Concentration factor of the substance to be tested (p-form)
| 1 W | 2 W | 4 W | 6 W | 8 W |
|
First concentration zone | 894 | 1510 | 721 | 2070 | 975 |
|
1110 | 742 | 1020 | 530 | 2300 | ||
1930 |
| |||||
Second concentration zone | 1380 | 1820 | 1030 | 1360 | 2960 |
|
826 | 512 | 776 | 1520 | 954 | ||
837 |
Method of calculating the weighted average
The weighted average of the water coffin concentration and concentration factor is calculated by the following formula:
weighted mean value = (∑ X I Ci)/(∑Xi)
where X i : the content of each component
C i : concentration or concentration factor for each
The content test of each component was determined from the peak area of the gas chromatograph (detector FID) as follows
m-form: 61.7 % of the total
p-form: 35.5 % of the total
Description of key information
BCF studies, OECD 305 guideline study, BCF values of 1628.2 L/Kg and 1708.9 L/Kg at two exposure concentrations of 10 and 100 µg/L, respectively.
Key value for chemical safety assessment
- BCF (aquatic species):
- 1 708.9 L/kg ww
Additional information
The bioconcentration factor (BCF) of a mixture of isomers 1,3-diisopropylbenzene (1,3-DIPB) and 1,4-diisopropylbenzene (1,4-DIPB) was tested in the first Key study (Lejon, 2020) at two different concentrations in the bluegill (Lepomis macrochirus), through aqueous exposure based on the OECD TG 305 (2012). Four different conditions were used during the test: (i) Control, (ii) Solvent Control, (iii) DIPB mixture at 10 μg.L-1(nominal concentration) (DIPB10) and (iv) DIPB mixture at 100 μg.L-1(nominal concentration) (DIPB100). The test was divided into two phases, the uptake phase which lasted 14 days followed by a depuration phase. The total duration of the test lasted 29 days. No toxic effect of the test item and/or the solvent control were observed. In this study the BCFKgL based on first order kinetics was in the same order of magnitude than the BCFSSL, indicating clearly that a steady-state has been attained in the uptake phase.
By comparing BCFKgL between conditions (DIPB10 and DIPB100) for both isomers (and consequently for the mixture), it is important to note as well that the difference is not clearly marked with 5 % and 1 % of difference, respectively. This lack of clear difference between BCFKgL obtained in each condition confirmed as well as the low impact of the noted deviation of the study plan. This deviation regarded that the concentration of the test substance in the test chambers was not maintained within +/- 20 % of the mean of the measured values during the uptake phase.
By consequence, the BCFKgL(L.kg-1) obtained in this study for the test item (mixture of isomers DIPB) was between 1785.1 and 1828.7.
The BCFKgL(L.kg-1) for the 1,3-DIPB isomer was between 1628.2 and 1708.9, and the BCFKgL(L.kg-1) for the 1,4-DIPB isomer was between 1902.4 and 1919.4.
These results suggest that the individual isomers as well as the mixture of isomers do not meet the Bioaccumulation (B) threshold of 2000 under a PBT/vPvB assessment.
The second Key BCF study conducted according to OECD Guideline 305 E (Bioaccumulation: Flow-through Fish Test) Cyprinus carpio were exposed to the mixed isomers m-/p-diisopropylbenzene concentrations of 2 and 20 µg/L for 56 d.
BCF values were measured for each isomer independently. For p-diisopropylbenzene BCF values ranging from 530 to 2300 at 20 µg/L and 512 to 2960 at 2 µg/L were determined and for m-diisopropylbenzene BCF values ranging from 503 to 1680 at 20 µg/L and 546 to 3210 at 2 µg/L.
In conclusion, the test item does not meet the classification criteria for B or vB.
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