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EC number: 202-826-9 | CAS number: 100-18-5
- 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
Long-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- long-term toxicity to aquatic invertebrates
- 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 and 1,4-diisopropylbenzene (target substance). The physico-chemical properties are highly equivalent based on the high structural similarity. As a conclusion, it is scientifically justified to address the endpoint Long-term toxicity to aquatic invertebrates 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: 1.4-diisopropylbenzene (or p-DIPB)
structural formula: C12H18
Smiles: CC(C)c1ccc(cc1)C(C)C
Molecular weight: 162 g/mol
CAS 100-18-5
EC No 202-826-9
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
- Duration:
- 21 d
- Dose descriptor:
- NOEC
- Effect conc.:
- 0.063 mg/L
- Nominal / measured:
- meas. (TWA)
- Conc. based on:
- test mat.
- Basis for effect:
- reproduction
- Duration:
- 21 d
- Dose descriptor:
- LOEC
- Effect conc.:
- 0.168 mg/L
- Nominal / measured:
- meas. (TWA)
- Conc. based on:
- test mat.
- Basis for effect:
- reproduction
- Duration:
- 21 d
- Dose descriptor:
- LC50
- Effect conc.:
- 0.22 mg/L
- 95% CI:
- >= 0.156 - <= 0.346
- Nominal / measured:
- meas. (TWA)
- Conc. based on:
- test mat.
- Basis for effect:
- mortality
- Duration:
- 21 d
- Dose descriptor:
- EC50
- Effect conc.:
- 0.154 mg/L
- Nominal / measured:
- meas. (TWA)
- Conc. based on:
- test mat.
- Basis for effect:
- reproduction
- Remarks on result:
- other: (95 % confidence interval: not calculated)
- Details on results:
- - Mortality of control: The mortality rate of Daphnia magna in the control and the control with the aid was 0 % at the end of the exposure period, which met the criterion of less than 20 % for the test to be successful. The mortality rate in the highest concentration was 100 % at the end of the exposure
- Reproduction: The date of first production of Daphnia magna in the control and the results were within the range. In the highest concentration zone, all parental Daphnia died before the first birth.
- Cumulative litter size: The average cumulative number of pups per Daphnia magna per 21 days in the control and the control with auxiliaries were 131 and 140, respectively, meeting the criterion of 60 pups for the study to be successful. In the highest concentration, all Daphnia died before the first litter.
- Dormant egg development: No dormant eggs were observed in the control, control with auxiliaries, and all concentrations throughout the entire exposure period. - Reported statistics and error estimates:
- a) Data Analysis: Dunnett multiple comparison for NOEC and LOEC; Probit method, binomial or Moving average for EC50
b) Method of Calculating Mean Measured Concentrations (i.e. arithmetic mean, geometric mean, etc.): Time-weighted Mean
Calculation of toxicity values: The calculation of toxicity values was the mean measured concentrations. The reason is that some of the error ranges of measured concentration were not less than +/- 20 % of nominal concentration. - Validity criteria fulfilled:
- yes
- Remarks:
- Mortality rate in control & solvent control = 0 % at D21, meeting the criterion of < 20 % for the test. Date of first production in the control & results & Average cumulative No. of pups per D. magna per 21 in control/solvent control within the range.
- Conclusions:
- Daphnia magna were exposed to test item for 21 days. Results of effect concentrations for 21 days exposure are shown below:
LOEC: 0.168 mg/L
NOEC: 0.063 mg/L
EC50: 0.154 mg/L
LC50: 0.220 mg/L - Executive summary:
In a long-term toxicity to aquatic invertebrates study conducted according to OECD Guideline 211 (Daphnia magna Reproduction Test; cited as OECD Guideline 202, part 2: Daphnia sp., Reproduction Test) under GLP compliance, Daphnia magna were exposed to diisopropylbenzene (mixed isomers) for 21 d. The purpose of the test was to determine the reproductive inhibition potential of the test substance against Daphnia magna (Daphnia magna). The test was conducted for 21 days to determine the minimum effect concentration (LOEC) and maximum no effect concentration (NOEC), and if possible, the 50 % reproductive inhibition concentration (EC50).
The test was conducted using solvent ( mixture of a dispersant of HCO40 and DMF), however, analytical monitoring was done. In this test, it could not be seperated the true toxicity of the test substance from the physical effect of non-dissolving substance. The 21 d NOEC and LOEC in respect to reproduction rate were determined to be 0.063 and 0.168 mg/L (measured concentrations), respectively. The 21 d LC50 and EC50 were determined to be 0.22 mg/L (95% C.L.: 0.156 -0.346 mg/L) and 0.154 mg/L (measured concentrations), respectively. All toxicity signs were observed above both isomers water solubility limits (0.0405 and 0.072 mg/L).
The LOEC = 0.168 mg/L is clearly above both isomers solubility limits (0.0405 mg/L for p-DIPB and 0.072 mg/L for m-DIPB). The weighted mean solubility (39.7 % p-DIPB and 58.2 % m-DIPB) is around 0.06 mg/L and therefore the NOEC value shows that there was no effect at this limit of water solubility.
Sumary:
Half lethal concentration (LC50) of the parent Daphnia magna: 0,220 mg/L (95 % confidence limit: 0.156 - 0.346 mg/L)
50 % reproductive inhibition concentration (EC50): 0.154 mg/L
Maximum no effect concentration (NOEC): 0.063 mg/L
Lowest effect concentration (LOEC): 0.168 mg/L
Based on the arguments presented in the Read Across statement attached in IUCLID Section 13, it is clear that the source substance, which consists only of the target substance and its structural isomer, shows an identical toxicokinetic pattern. As such, the data presented here could be used to fulfil lthe information requirements for the target substance 1.4-diisopropylbenzene.
Reference
Cumulative Number of Died Parental Daphnids: No test organism was killed at control and solvent control.
The lowest concentration that test organisms were dead was at 0.012 mg/L after 7 days.
All test organisms were dead at 0.600 mg/L after 8 days.
Table 2-1 Cumulative Number of Dead Parental Daphnia
Nominal Conc. (mg/L) | Measured Conc. (mg/L) | Days | |||||||||||||||||||||
0 | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 | 13 | 14 | 15 | 16 | 17 | 18 | 19 | 20 | 21 | ||
Control | Control | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Solvent control | Solvent control | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
0.012 | 0.009 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 2 | 2 | 2 | 2 | 2 | 2 | 2 |
0.032 | 0.024 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 2 |
0.085 | 0.063 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 |
0.230 | 0.168 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 |
0.600 | 0.431 | 0 | 0 | 1 | 9 | 9 | 9 | 9 | 9 | 10 | 10 | 10 | 10 | 10 | 10 | 10 | 10 | 10 | 10 | 10 | 10 | 10 | 10 |
Cumulative numbers of juveniles produced per adult alive for 21 days
Vessel No. |
| Cumulative numbers of juveniles | ||||||
Nominal Conc. (mg/L) | Control | Solvent Control | 0.012 | 0.032 | 0.085 | 0.230 | 0.600 | |
Measured Conc.*1 (mg/L) | Control | Solvent Control | 0.009 | 0.024 | 0.063 | 0.168 | 0.431 | |
1 | 152 | 135 | 138 | D | 151 | 45 | D | |
2 | 133 | 152 | 149 | D | 145 | 11 | D | |
3 | 129 | 131 | 152 | 144 | D | 67 | D | |
4 | 110 | 152 | 123 | 149 | 145 | D | D | |
5 | 148 | 135 | 151 | 140 | 149 | 37 | D | |
6 | 135 | 133 | 128 | 139 | 146 | 28 | D | |
7 | 120 | 154 | D | 137 | 125 | 70 | D | |
8 | 132 | 135 | 129 | 149 | 151 | 54 | D | |
9 | 116 | 140 | 145 | 151 | 154 | 37 | D | |
10 | 130 | 136 | D | 147 | 140 | 71 | D | |
Mean | 130.5 | 140.3 | 139.4 | 144.5 | 145.1 | 46.7 | 0.0 | |
SD | 13.1 | 8.8 | 11.5 | 5.3 | 8.6 | 20.7 | - | |
Inhibition rate (%) | 0.7 | -3.0 | -3.4 | 66.7 | 0.0 | |||
Significant difference | --- | --- | --- | ** | ++ |
*1: Time-wighted mean measured concentration
**: Indicates a significant difference (alpha = 0.01) from the solvent control.
++: Statistical comparison test could not be performed for this concentration because adult alive after 21 days was none.
D: Were not included for calculation because the parental daphnids were dead during a 21-day testing period.
---: Indicates no significant difference.
Effect Data(reproduction): Juveniles were first producted on the 7th day control and all concentrations.
Nominal Conc. (mg/L) | Measured Conc. (mg/L) | Mean Cumulative Numbers of Juveniles Produced per Adult (days) | |||||||||||||||
0 - 6 | 7 | 8 | 9 | 10 | 11 | 12 | 13 | 14 | 15 | 16 | 17 | 18 | 19 | 20 | 21 | ||
Control | Control | 0 - 0 | 4.1 | 9.6 | 9.6 | 18.9 | 45 | 45.1 | 45.1 | 78.6 | 78.6 | 78.6 | 101.6 | 106.6 | 106.6 | 110.0 | 130.5 |
Solvent control | Solvent control | 0 - 0 | 9.5 | 10.7 | 10.7 | 29.3 | 45.3 | 48.2 | 48.2 | 83.2 | 83.2 | 83.2 | 114.8 | 115.1 | 115.1 | 122.7 | 140.3 |
0.012 | 0.009 | 0 - 0 | 8.5 | 11.5 | 11.5 | 18.7 | 47.5 | 47.5 | 47.5 | 83.4 | 83.4 | 83.4 | 115.6 | 115.6 | 115.6 | 119.8 | 139.4 |
0.032 | 0.024 | 0 - 0 | 14.0 | 14.0 | 14.0 | 14.1 | 56.4 | 60.9 | 60.9 | 92.4 | 92.4 | 92.4 | 121.9 | 122.0 | 122.0 | 127.8 | 144.5 |
0.085 | 0.063 | 0 - 0 | 12.0 | 12.0 | 12.0 | 11.9 | 49.0 | 53.7 | 53.7 | 86.1 | 86.1 | 89.9 | 120.9 | 120.9 | 120.9 | 142.7 | 145.1 |
0.230 | 0.168 | 0 - 0 | 1.7 | 3.0 | 4.0 | 1.5 | 17.0 | 17.0 | 17.0 | 18.7 | 20.3 | 26.9 | 40.1 | 42.4 | 42.4 | 44.6 | 46.7 |
0.600 | 0.431 | 0 - 0 | --- | --- | --- | --- | --- | --- | --- | --- | --- | --- | --- | --- | --- | --- | --- |
---: The parental Daphnids were dead during a 21-day testing period
Effect Data:
LC50 (21day) = 0.220 (mc) (95 C. I.: 0.156-0.346 mg/L)
EC50 (21day) = 0.154 mg/L (mc)
NOEC (21day) = 0.063 mg/L (mc)
LOEC (21day) = 0.168 mg/L (mc)
mc: based on measured concentrations
NOEC was determined based on the cumulative number of juveniles produced per adult alive for 21 days.
Table 1-2 Measured Concentrations as a Percentage of Nominal | |||||||
Nominal Concentration (mg/L) | Measured Concentration as a Percentage of Nominal | ||||||
Date- | 0 | 1 | 7 | 8 | 14 | 15 | |
New | Old | New | Old | New | Old | ||
0. 012 | 100 | 58 | 83 | 67 | 83 | 58 | |
0. 032 | 88 | 59 | 81 | 69 | 91 | 72 | |
0. 085 | 88 | 61 | 81 | 64 | 88 | 65 | |
0.230 | 87 | 62 | 84 | 62 | 83 | 63 | |
0.600 | 81 | 63 | 81 | 64 | * | * | |
New: Freshly prepared test solution | |||||||
Old: Old test solution before renewal | |||||||
*1: Time-weighted mean measured concentration during 21days. | |||||||
*: No measurement was made because all parental Daphnia were dead at this time. |
Water chemistry (pH and DO) and temperature in test:
Water chemistry and temperature were measured for control and each concentration at the start of test and before and after renewal of the test solutions.
pH: 7.3 - 8.6 DO: 7.7 - 9.1 mg/L
Water Temperature: 20.0 - 20.5 °C
Total hardness: 220 - 245 mg/L
Effect: reproduction
Measured Concentrations : The test concentrations were measured for both renewal and old test solution at the start of test and 1st, 7th 8th, 14th and 15th day. For some of them, the deviation from the nominal were not less than +/-20%.
-----
Table1-1 Measured Concentrations of the Test Substance in Test Water during a 21-day Exposure Period (Daphnia Reproduction Inhibition Test under the Semi-Static Test Conditions) | ||||||||||
Nominal Concentration (mg/L) | Measured Concentration (mg/L) | Measured Concentration (mg/L) | TWM*1 (mg/L) | % of Nominal | ||||||
Date- | 0 | 1 | 7 | 8 | 14 | 15 | ||||
New | Old | New | Old | New | Old | |||||
Control | Control | < 0.002 | < 0.002 | < 0.002 | < 0.002 | < 0.002 | < 0.002 | |||
Solvent control | Solvent control | < 0.002 | < 0.002 | < 0.002 | < 0.002 | < 0.002 | < 0.002 | |||
0.012 | 0.012 | 0.012 | 0.007 | 0.010 | 0.008 | 0.010 | 0.007 | 0.009 | 75 | |
0.032 | 0.032 | 0.028 | 0.019 | 0.026 | 0.022 | 0.029 | 0.023 | 0.024 | 75 | |
0.085 | 0.085 | 0.075 | 0.052 | 0.069 | 0.054 | 0.075 | 0.055 | 0.063 | 74 | |
0.230 | 0.230 | 0.199 | 0.143 | 0.193 | 0.143 | 0.190 | 0.146 | 0.168 | 73 | |
0.600 | 0.600 | 0.486 | 0.380 | 0.483 | 0.383 | * | * | 0.431 | 72 |
Fresh: Start of renewal period
Old: End of renewal period
*1: Time-weighted mean of measured concentration during 21 days
*: No measured was made because all dapnids were dead at this time.
Description of key information
- MOE, 2000e: OECD 211, Daphnia magna were exposed to diisopropylbenzene (mixed isomers) for 21 days.
Results:
LOEC: 0.168 mg/L
NOEC: 0.063 mg/L
EC50: 0.154 mg/L
LC50L: 0.220 mg/L
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Dose descriptor:
- NOEC
- Effect concentration:
- 0.063 mg/L
Additional information
A 21-day OECD 211 study (MOE, 2000e) was performed with the mixed isomers (m- and p-) of diisopropylbenzene using Daphnia magna performed under semi-static conditions. The test solutions were prepared using a solvent carrier at nominal concentrations between 0.012 and 0.600 mg/L. The study resulted in a NOEC of 0.063 mg/L and a LOEC of 0.168 mg/L based upon reproduction and the time weighted mean measurements of the test solutions. The 21-day LC50 for mortality of the parental organisms was 0.220 mg/L. These results suggest a lack of chronic or acute toxicity at the limit of water solubility.
Based on the arguments presented in the Read Across statement attached in IUCLID Section 13, it is clear that the source substance, which consists only of the target substance and its structural isomer, shows an identical toxicokinetic pattern. As such, the data presented here could be used to fulfill the information requirements for the target substance 1.4-diisopropylbenzene.
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