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Short-term toxicity to fish

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Endpoint:
short-term toxicity to fish
Type of information:
experimental study
Adequacy of study:
key study
Study period:
21 July to 25 July 2003
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP compliant, guideline study available as unpublished report, reliable without restrictions
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 203 (Fish, Acute Toxicity Test)
GLP compliance:
yes
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material:
Not reported
Analytical monitoring:
yes
Details on sampling:
6, 24, 48, 72 and 96 hour
Details on test solutions:
Target Loading Rate Actual Loading Rate Measured Concentration
mg/L mg/L mg/L
0 0 0
0.41 0.43 0.41
0.9 0.92 0.84
2 2.1 1.8
4.5 4.5 4.4
10 10 9.8
Test organisms (species):
Oncorhynchus mykiss (previous name: Salmo gairdneri)
Details on test organisms:
Source: Thomas Fish Company, Anderson, CA.
Holding conditions prior to test: held for 13 days in study dilution water.
Life stage of test species used: 36 days old, mean weight 0.226g, mean total length 3.4 cm.
Test type:
static
Water media type:
freshwater
Total exposure duration:
96 h
Post exposure observation period:
Not applicable
Hardness:
104 mg/L CaCO3
Test temperature:
13.6 ̊C
pH:
7.2 to 8.1
Dissolved oxygen:
5.9 to 8.6 mg/L
Salinity:
not reported
Nominal and measured concentrations:
Individual treatment solutions were prepared by adding the test substance to dilution water and removing the water accommodated fractions; Loading rates of 0, 0.43, 0.92, 2.1, 4.5 and 10 mg/L; Concentrations of 0, 0.41, 0.84, 1.8, 4.4 and 9.8 mg/L, respectively.
Details on test conditions:
Type and source of exposure medium: individual water accommodated fractions were prepared for each treatment
Test vessel: 4L size aspirator bottles
Aeration: sealed with no headspace
Renewal rate: daily renewals: ~90% test solution removed and replicates refilled with fresh solution
Number of organisms per vessel: 4
Number of replicates per concentration: 3
Biomass loading: 0.201g of fish/L
Photoperiod: 16 hours light, 8 hours dark
Light intensity: 627-635 Lux during full daylight periods
Feeding: not fed during study
Reference substance (positive control):
not specified
Key result
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
6.1 mg/L
Nominal / measured:
meas. (arithm. mean)
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Remarks on result:
other: 95% CL 5.3-7.0
Key result
Duration:
96 h
Dose descriptor:
LL50
Effect conc.:
6.3 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Remarks on result:
other: 95% CL 5.5-7.1
Details on results:
At 96 hours, maximum measured concentration causing no mortality was 1.8 mg/L, mimimum concentration causing 100% mortality was 9.8 mg/L.
Results with reference substance (positive control):
Not reported
Sublethal observations / clinical signs:

Target Loading Rate * Actual Loading Rate ** Measured Concentration

mg/L mg/L mg/L
0 0 0
0.41 0.43 0.41
0.9 0.92 0.84
2 2.1 1.8
4.5 4.5 4.4
10 10 9.8

* Target loading rate as per protocol.

** Actual loading rate (weight) of test substance added to the vehicle/dilution water. The values represent the mean of the individual WAFs prepared for the renewals.

† Concentration based on mean (new and old) measured concentrations.

Hours LL50  LC50
mg/L mg/L
3 >10* >9.8*
6, 24, 48, 72 6.7 (4.5 - 10) 99% confidence interval) 6.6 (4.4-9.8) 99% confidence interval
96 6.3 (5.5 - 7.1) 95% confidence interval 6.1 (5.3-7.0) 95% confidence interval

* Not a calculated value, 42% mortality was observed in the highest loading rate/concentration at 3 hours, therefore the EL/EC50 is greater than the highest loading rate/concentration tested.

Validity criteria fulfilled:
yes
Conclusions:
The LC50 of Low DCPD Resin Oil (MRD-03-630) was determined to be 6.1 mg/L, LL50: 6.3 mg/L after 96 hour exposure.
Executive summary:

This is a GLP compliant, guideline study. Whilst this study will fulfil the REACH endpoint and is considered suitable for assessment, as it is based upon a WAF procedure it would not be suitable for deriving a PNEC. The LC50 of Low DCPD Resin Oil (MRD-03-630) was determined to be 6.1 mg/L, LL50: 6.3 mg/L after 96 hour exposure.

Endpoint:
short-term toxicity to fish
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: GLP Compliant, guideline study, available as unpublished report, acceptable with restrictions
Qualifier:
according to guideline
Guideline:
OECD Guideline 203 (Fish, Acute Toxicity Test)
GLP compliance:
yes
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material:
Not reported
Analytical monitoring:
no
Details on sampling:
6 different concentrations plus controls. pH and oxygen concentrations of the test and control solutions were measured at the beginning and at the end of the test and at each renewal time. Oxygen concentrations brought to 10-12 mg of oxygen per 1 L by bubbling with oxygen. Test vessels were closed to avoid evaporation of test substance. Dead animals counted and removed at least after 24, 48, 72 and 96 hr. At same time condition of survivors was compared with that of control animals. Actual concentrations of test substance in test solutions were not determined by chemical analysis.
Details on test solutions:
2.0, 3.5, 6.1, 11.0, 19.5 and 35 µL of C9 Resinfeed accurately pipetted in duplicate and each portion added to one litre of dilution water resulting in test solutions of 1.8, 3.2, 5.6, 10, 18 and 32 mg/L. Some undissolved material was seen on surface of test solutions containing 5.6 mg/L or more.
Test organisms (species):
Danio rerio (previous name: Brachydanio rerio)
Details on test organisms:
Source: commercial hatchery MB Ruysbroek B.V. (Noordvliet 159, Maassluis).
Holding conditions prior to test: not reported
Life stage of test species used: total length of test animals was 2.1 ± 0.1 cm and their weight was 0.09 ± 0.01 g.
Test type:
not specified
Water media type:
freshwater
Total exposure duration:
96 h
Post exposure observation period:
Not applicable
Hardness:
210 mg/L
Test temperature:
25 ± 1 ºC
pH:
ranged 7.5-8.2
Dissolved oxygen:
>5.7 mg/L
Salinity:
not reported
Nominal and measured concentrations:
test solutions of 1.8, 3.2, 5.6, 10, 18 and 32 mg/L (nominal concentrations); used to determine LL50/NOELR.
Details on test conditions:
Test vessel: 1000 mg all glass conical flasks
Aeration: oxygen concentrations brought to 10-12 mg of oxygen per 1 L by bubbling with oxygen
Number of organisms per vessel: 5 fish used for each test and control solution
Number of replicates per concentration: 2
Biomass loading: not reported
Photoperiod: 16:8 light:dark
Feeding: not fed
Reference substance (positive control):
not specified
Duration:
96 h
Dose descriptor:
LL50
Effect conc.:
13.5 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Duration:
96 h
Dose descriptor:
NOELR
Effect conc.:
5.6 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Details on results:
After 96 h exposure all animals were alive at 10 mg/L; total mortality was observed at 18 mg/L; after 96 h exposure NOEC determined as 5.6 mg/L (mortality and condition).
Results with reference substance (positive control):
Not reported
Reported statistics and error estimates:
Slope of the concentration-effect curve was too steep to be calculated accurately; LC50 values or slope not calculated.
Validity criteria fulfilled:
no
Conclusions:
The 48 and 96 h LL50 toxicity of C9-Resinfeed to Brachydanio rerio was determined as 13.5 mg/L. After 96 h exposure all animals were alive at 10 mg/L. The total mortality was observed at 18 mg/L. After 96 h exposure NOELR determined as 5.6 mg/L (mortality and condition). All the values are based on nominal concentrations.
Executive summary:

This is a GLP compliant, guideline study and is considered adequate for assessment. the 48 and 96 h LL50 toxicity of C9-Resinfeed to Brachydanio rerio was determined as 13.5 mg/L. After 96 h exposure all animals were alive at 10 mg/L. The total mortality was observed at 18 mg/L; after 96 h exposure NOELR determined as 5.6 mg/L (mortality and condition). All the values are based on nominal concentrations.

Endpoint:
short-term toxicity to fish
Type of information:
experimental study
Adequacy of study:
key study
Study period:
13 May 2003 to 17 May 2003
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP compliant, guideline study available as unpublished report, reliable without restrictions
Qualifier:
according to guideline
Guideline:
OECD Guideline 203 (Fish, Acute Toxicity Test)
GLP compliance:
yes
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material (migrated information):
Not reported
Analytical monitoring:
yes
Details on sampling:
Water Quality, temperature, pH and dissolved oxygen measurements recorded per treatment for new solution prior to renewals and in a composite of the replicates after each renewal
Details on test solutions:
Individual Water Accommodated Fractions (WAFs) were prepared for each treatment. The test substance was added to 19 L of reconstituted water in glass aspirator bottles (capacity 22 L). The solutions were mixed for 24 hours using a 3-5% vortex (of the static liquid depth). The test solutions were removed through the outlet at the bottom of each mixing vessel into three replicates of 4.5-L in 4-L size aspirator bottles (no headspace).
Test organisms (species):
Oncorhynchus mykiss (previous name: Salmo gairdneri)
Details on test organisms:
Source: Thomas Fish Company, Anderson CA.
Holding conditions prior to test: Observed for parasites and disease for 13 days prior to use at 14 degrees C. Water continuously aerated.Held under static conditions using biological and mechanical filtration, 16 hr photoperiod, fed at least 5 days per week.
Life stage of test species used: 36 days post hatch, fish mean weight = 0.239 g, mean total length = 3.3 cm, test loading = 0.212 g of fish/L.
Test type:
semi-static
Water media type:
freshwater
Total exposure duration:
96 h
Post exposure observation period:
Not reported
Hardness:
108 mg/L as CaCO3.
Test temperature:
13.6°C
pH:
ranged from 6.8 to 8.1
Dissolved oxygen:
ranged from 6.5 to 8.6 mg/L
Salinity:
not reported
Nominal and measured concentrations:
Target Loading Rate (mg/l): 0,0.2,0.45, 1.0, 2.3,5.0
Actual Loading Rate (mg/l): 0, 0.21, 0.49, 1.1, 2.3, 4.9
Measured Concentration (mg/l): 0, 0.25, 0.39, 0.85, 2.0, 5.0
Details on test conditions:
Range finding study determined loading rates for definitive study. This was not subject to GLP standards. Definitive study: Individual Water Accommodated Fractions (WAF's) were prepared for each treatment. The test substance was added to 19 L of reconstituted water in glass aspirator bottles (capacity 22 L). The solutions were mixed for 24 hours using a 3- 5% vortex (of the static liquid depth). The test solutions were removed through the outlet at the bottom of each mixing vessel into three replicates of 4.5 L in 4 L size aspirator bottles (no headspace). Four fish were added to each replicate and the replicates sealed. Daily renewals were performed by removing ~90% of the test solution through the outlet at the bottom of the aspirator bottle and refilling with fresh solution. Due to the complex nature and limited water solubility of the test substance, the following exceptions to the guideline apply for this study: The concentration of the test substance in solution was not determined prior to use. It was deemed more appropriate to prepare individual treatment solutions by adding the test substance to dilution water and removing the WAF of each mixture for testing than to prepare dilutions of a stock solution.
Reference substance (positive control):
not specified
Key result
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
0.58 mg/L
Nominal / measured:
meas. (arithm. mean)
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Remarks on result:
other: 99% CL 0.39-0.85
Key result
Duration:
96 h
Dose descriptor:
LL50
Effect conc.:
0.73 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Remarks on result:
other: 99% CL 0.49-1.1
Details on results:
The maximum actual loading rate causing no mortality after 96-hours was 0.49 mg/L. The maximum measured concentration causing no mortality after 96-hours was 0.39 mg/L. The minimum actual loading rate causing 100% mortality after 96-hours was 1.1 mg/L. The minimum measured concentration causing 100% mortality after 96- hours was 0.85 mg/L. The method of analysis was automated static headspace gas chromatography with flame ionization detection (HS GC-FID).
Results with reference substance (positive control):
Not reported
Reported statistics and error estimates:
95% confidence levels 96 hr LC50 0.58 mg/l (0.39-0.85*) * 99% confidence interval
Sublethal observations / clinical signs:

Target Loading Rate* Actual Loading Rate** Measured Concentration
0 0 0
0.2 0.21 0.25
0.45 0.49 0.39
1 1.1 0.85
2.3 2.3 2
5 4.9 5

* Target loading rate as per protocol.

** Actual loading rate (weight) of test substance added to the vehicle/dilution water. The values represent the mean of the individual WAFs prepared for the renewals.

† Concentration based on mean (new and old) measured concentrations.

Hours LL50 LC50
mg/l mg/l
3 4.5 (CNC) 4.5 (CNC)
6 2.5 (2.0-3.0) 2.2 (1.7-2.8)
24 1.6 (1.1-2.3*) 1.3 (0.85-2.0*)
48 1.3 (1.1-1.6) 1.1 (0.87-1.3)
72 0.84 (0.71-0.99) 0.66 (0.55-0.79)
96 0.72 (0.49-1.1*) 0.58 (0.39-0.85*)

Values in parentheses are 95% confidence intervals unless otherwise noted.

CNC - Could Not Calculate a confidence interval.

* 99% confidence interval

Validity criteria fulfilled:
yes
Remarks:
conditions maintained throughout the test
Conclusions:
After Oncorhynchus mykiss were exposed to WAFs prepared from Dicyclopentadiene/Codimer Concentrate for 96-hours, the LL50 was 0.73 mg/L and the LC50 was 0.58 mg/L.
Executive summary:

This is a GLP compliant, guideline study. Whilst this study will fulfil the REACH endpoint and is considered suitable for assessment, as it is based upon a WAF procedure it would not be suitable for deriving a PNEC. After Oncorhynchus mykiss were exposed to WAFs prepared from Dicyclopentadiene/Codimer Concentrate for 96-hours, the LL50 was 0.73 mg/L and the LC50 was 0.58 mg/L.

Endpoint:
short-term toxicity to fish
Type of information:
experimental study
Adequacy of study:
disregarded due to major methodological deficiencies
Study period:
22 October - 26 October 1990
Reliability:
3 (not reliable)
Rationale for reliability incl. deficiencies:
significant methodological deficiencies
Qualifier:
according to guideline
Guideline:
other: DIN 38 412
GLP compliance:
not specified
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material:
not reported
Analytical monitoring:
yes
Details on sampling:
Not reported
Vehicle:
not specified
Details on test solutions:
Producted added to the test water without any pretreatment
Test organisms (species):
other: Golden Orfe (Leuciscus Iodus L, Golden variety)
Details on test organisms:
Obtained from Fischzucht Paul Eggers. Fish kept in flow through tank in tap water cleaned by active carbon and aerated with oil free air, photoperiod 16: 8 light :dark, total hardness about 2.5 mmol/L, acid capacity about 5.5 mmol/L, oxygen content >60% of maximum saturation, pH about 8.0. Temp 19-22ºC, no mortality during the last 2 weeks of housing, no mortality during adaptation period. Medical treatment twice with 0.5 mg/L malachite green chloride, once with 10 mg/L tetracycline hydrochloride, fed. Life stage not reported; body length 7.0 cm (range 6.5 - 7.8) body weight 3.4 g (range 2.5 - 5.1 g).
Test type:
static
Water media type:
freshwater
Limit test:
no
Total exposure duration:
96 h
Post exposure observation period:
Not reported
Hardness:
2.5 mmol/L
Test temperature:
22 ± 1 ºC
pH:
about 8
Dissolved oxygen:
Nominal Conc Oxygen Content
(mg/L) 1h 4h 24h 48h 72h 96h
10 7.1 7 7.6 7.5 7.1
21.5 6.2 6.1 7 7 7.2
46.4 6.7 5.9 6.9 6.8 6.8
100 7.8 7.9 7.8 8 7.6

0 7.8 7.5 7.6 8 7.6
Salinity:
not reported
Nominal and measured concentrations:
Based on the resuls of 2 range-finding studies and a mina study not evaluated (LL50 after 96h; between 10 and 100 mg/l) the nominal concentrations spaced by a factor of about 2.2 were fixed as follows: 10.0, 21.5, 46.4 and 100 mg/L.
Details on test conditions:
Test vessel: all glass aquarium
Aeration: slight
Number of organisms per vessel: 10
Number of replicates per concentration: 0
Biomass loading: 3.4 g fish/L test water
Photoperiod: 16:8 light:dark
Feeding: withdrawal of food 1 day before and during exposure
Reference substance (positive control):
not specified
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
58.6 mg/L
Nominal / measured:
nominal
Conc. based on:
not specified
Basis for effect:
not specified
Remarks on result:
other: 96h LC50 of C9-produkt to Golden Orfe determined to be 58.6 mg/l. No Observed Effect Concentration was 21.5 mg/l
Details on results:
96h LC50 of C9-produkt to Golden Orfe determined to be 58.6 mg/L. No Observed Effect Concentration was 21.5 mg/L. Values based on nominal concentrations
Results with reference substance (positive control):
Not reported
Reported statistics and error estimates:
Confidence Limits 95%

Concentration (mg/L) Lower Upper
LC50 58.6 42.8 81.1
LC50 30.4 10.7 41.9
LC95 113.3 81.7 329.1
Validity criteria fulfilled:
yes
Conclusions:
96h LC50 of C9-produkt to Golden Orfe determined to be 58.6 mg/L. No Observed Effect Concentration was 21.5 mg/L.
Executive summary:

Guideline study, restrictions in design and /or reporting but considered adequate for assessment. 96h LC50 of C9-produkt to Golden Orfe determined to be 58.6 mg/L. No Observed Effect Concentration was 21.5 mg/L. Values are based on nominal concentrations.

Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
See Attached Justification
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
- Software tool(s) used including version:
See Field 'Attached justification'
- Model(s) used:
See Field 'Attached justification'
- Model description: See Field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
GLP compliance:
not specified
Specific details on test material used for the study:
HC Block Type Carbon Number Concentration (%w/w)
Mono-Aromatic (MoAr) 7 2.49
8 4.24
9 66.33
10 5.12
Naphthenic Mono-Aromatic (NMAr) 9 19.58
Total 97.76

The constituents that could fit in more than one HC block, or that did not fit in any specific block, were placed in a relevant block that presented the highest toxicity.
Test organisms (species):
Oncorhynchus mykiss (previous name: Salmo gairdneri)
Test type:
other: QSAR
Water media type:
other: QSAR
Limit test:
no
Total exposure duration:
96 h
Reference substance (positive control):
not required
Key result
Duration:
96 h
Dose descriptor:
LL50
Effect conc.:
4.07 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mortality (fish)
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 96-h LL50 (mortality) for O. mykiss was 4.07 mg/L.
Executive summary:

The QSAR predicted 96-h LL50 (mortality) of the UVCB substance for O. mykiss was 4.07 mg/L. The model used for the calculations was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
See Attached Justification
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
- Software tool(s) used including version:
See Field 'Attached justification'
- Model(s) used:
See Field 'Attached justification'
- Model description: See Field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
GLP compliance:
not specified
Specific details on test material used for the study:
HC Block Type Carbon Number Concentration (%w/w)
Mono-Aromatic (MoAr) 6 0.44
7 2.99
8 5.10
9 83.11
10 0.95
Naphthenic Mono-Aromatic (NMAr) 9 2.40
Di-Aromatic (DiAr) 10 1.13
n-Olefin 10 0.54
n-Paraffin (n-P) 10 0.14
11 0.33
Total 97.12

The constituents that could fit in more than one HC block, or that did not fit in any specific block, were placed in a relevant block that presented the highest toxicity.
Test organisms (species):
Oncorhynchus mykiss (previous name: Salmo gairdneri)
Test type:
other: QSAR
Water media type:
other: QSAR
Limit test:
no
Total exposure duration:
96 h
Reference substance (positive control):
not required
Key result
Duration:
96 h
Dose descriptor:
LL50
Effect conc.:
3.81 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mortality (fish)
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 96-h LL50 (mortality) for O.mykiss was 3.81mg/L.
Executive summary:

The QSAR predicted 96-h LL50 (mortality) of the UVCB substance for O. mykiss was 3.81mg/L. The model used for the calculations was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
See Attached Justification
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
- Software tool(s) used including version:
See Field 'Attached justification'
- Model(s) used:
See Field 'Attached justification'
- Model description: See Field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
GLP compliance:
not specified
Specific details on test material used for the study:
HC Block Type Carbon Number Concentration (%w/w)
Mono-Aromatic (MoAr) 7 1.55
8 31.91
9 17.86
10 2.89
12 2.29
13 0.67
Di-Aromatic (DiAr) 10 1.03
13 0.28
14 0.24
15 0.28
n-Olefin 5 0.27
10 21.06
11 0.41
i-Olefin 9 0.30
Total 81.03

The constituents that could fit in more than one HC block, or that did not fit in any specific block, were placed in a relevant block that presented the highest toxicity.
Test organisms (species):
Oncorhynchus mykiss (previous name: Salmo gairdneri)
Test type:
other: QSAR
Water media type:
other: QSAR
Limit test:
no
Total exposure duration:
96 h
Reference substance (positive control):
not required
Key result
Duration:
96 h
Dose descriptor:
LL50
Effect conc.:
1.04 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mortality (fish)
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 96-h LL50 (mortality) for O. mykiss was 1.04 mg/L.
Executive summary:

The QSAR predicted 96-h LL50 (mortality) of the UVCB substance for O. mykiss was 1.04 mg/L. The model used for the calculations was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
See Attached Justification
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
- Software tool(s) used including version:
See Field 'Attached justification'
- Model(s) used:
See Field 'Attached justification'
- Model description: See Field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
GLP compliance:
not specified
Specific details on test material used for the study:
HC Block Type Carbon Number Concentration (%w/w)
Mono-Aromatic (MoAr) 6 0.57
7 0.19
9 0.50
12 0.98
13 0.31
Di-Aromatic (DiAr) 10 0.27
n-Olefin 5 0.63
10 62.38
11 23.68
Total 89.52

The constituents that could fit in more than one HC block, or that did not fit in any specific block, were placed in a relevant block that presented the highest toxicity.
Test organisms (species):
Oncorhynchus mykiss (previous name: Salmo gairdneri)
Test type:
other: QSAR
Water media type:
other: QSAR
Limit test:
no
Total exposure duration:
96 h
Reference substance (positive control):
not required
Key result
Duration:
96 h
Dose descriptor:
LL50
Effect conc.:
0.65 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mortality (fish)
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 96-h LL50 (mortality) for O. mykiss was 0.65 mg/L.
Executive summary:

The QSAR predicted 96-h LL50 (mortality) of the UVCB substance for O. mykiss was 0.65 mg/L. The model used for the calculations was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
See Attached Justification
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
- Software tool(s) used including version:
See Field 'Attached justification'
- Model(s) used:
See Field 'Attached justification'
- Model description: See Field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
GLP compliance:
not specified
Specific details on test material used for the study:
HC Block Type Carbon Number Concentration (%w/w)
Mono-Aromatic (MoAr) 7 0.75
8 35.64
9 17.80
10 2.99
12 0.35
13 0.23
Di-Aromatic (DiAr) 10 0.22
n-Cyclohexane (n-CC6) 7 0.11
iso-Naphthenic (i-N) 8 0.10
n-Olefin 5 0.58
6 0.17
9 0.61
10 23.76
i-Olefin 6 0.21
n-Paraffin (n-P) 7 0.12
8 0.18
9 0.30
Total 84.13

The constituents that could fit in more than one HC block, or that did not fit in any specific block, were placed in a relevant block that presented the highest toxicity.
Test organisms (species):
Oncorhynchus mykiss (previous name: Salmo gairdneri)
Test type:
other: QSAR
Water media type:
other: QSAR
Limit test:
no
Total exposure duration:
96 h
Reference substance (positive control):
not required
Key result
Duration:
96 h
Dose descriptor:
LL50
Effect conc.:
1.47 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mortality (fish)
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 96-h LL50 (mortality) for O. mykiss was 1.47 mg/L.
Executive summary:

The QSAR predicted 96 -h LL50 (mortality) of the UVCB substance for O. mykiss was 1.47 mg/L. The model used for the calculations was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
See Attached Justification
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
- Software tool(s) used including version:
See Field 'Attached justification'
- Model(s) used:
See Field 'Attached justification'
- Model description: See Field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
GLP compliance:
not specified
Specific details on test material used for the study:
HC Block Type Carbon Number Concentration (%w/w)
n-olefin 5 0.57
9 1.24
10 76.50
11 14.84
12 1.21
Total 94.37

The constituents that could fit in more than one HC block, or that did not fit in any specific block, were placed in a relevant block that presented the highest toxicity.
Test organisms (species):
Oncorhynchus mykiss (previous name: Salmo gairdneri)
Test type:
other: QSAR
Water media type:
other: QSAR
Limit test:
no
Total exposure duration:
96 h
Reference substance (positive control):
not required
Key result
Duration:
96 h
Dose descriptor:
LL50
Effect conc.:
0.66 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR predicted
Basis for effect:
mortality (fish)
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 96-h LL50 (mortality) for O. mykiss was 0.66 mg/L.
Executive summary:

The QSAR predicted 96-h LL50 (mortality) of the UVCB substance for O. mykiss was 0.66 mg/L. The model used for the calculations was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
See Attached Justification
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
- Software tool(s) used including version:
See Field 'Attached justification'
- Model(s) used:
See Field 'Attached justification'
- Model description: See Field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
GLP compliance:
not specified
Specific details on test material used for the study:
HC Block Type Carbon Number Concentration (%w/w)
Mono-Aromatic (MoAr) 8 1.51
9 42.57
10 7.04
Naphthenic Mono-Aromatic (NMAr) 9 0.98
10 0.36
Di-Aromatic (DiAr) 10 8.24
11 0.85
n-Olefin 5 0.22
9 0.13
10 26.65
11 4.67
Total 93.21

The constituents that could fit in more than one HC block, or that did not fit in any specific block, were placed in a relevant block that presented the highest toxicity.
Test organisms (species):
Oncorhynchus mykiss (previous name: Salmo gairdneri)
Test type:
other: QSAR
Water media type:
other: QSAR
Limit test:
no
Total exposure duration:
96 h
Reference substance (positive control):
not required
Key result
Duration:
96 h
Dose descriptor:
LL50
Effect conc.:
1.34 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR prediction
Basis for effect:
mortality (fish)
Remarks on result:
other: QSAR predicted value
Validity criteria fulfilled:
yes
Conclusions:
The QSAR predicted 96-h LL50 (mortality) for O. mykiss was 1.34 mg/L.
Executive summary:

The QSAR predicted 96-h LL50 (mortality) of the UVCB substance for O. mykiss  was 1.34 mg/L. The model used for the calculations was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.

Description of key information

Short term toxicity to fish data are available for 2 streams within this Category. The 96 hour LC50s (based on measured concentrations) ranged from 0.58 to 13.5 mg/L. The 96 hour LL50 (based on loading rates) ranged from 0.73 to 6.3 mg/L.

 

In addition to the experimental data, the aquatic toxicity was predicted by a QSAR, the PETROTOX v4.0 computer model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. The substances of this category fit within the criteria of the model and there are no reservations about the validity of the model runs. The predicted 96-h LL50 (mortality) values for Oncorhynchus mykiss ranged from 0.65 to 4.07 mg/L.

Key value for chemical safety assessment

Additional information

Experimental data:

 

EC 270-790-1 / CAS 68478-10-4 (ACC, 2004c): This is a GLP compliant, guideline study. After Oncorhynchus mykiss were exposed to WAFs prepared from Dicyclopentadiene/Codimer Concentrate for 96 hours, the LL50 was 0.73 mg/L (loading rate) and the LC50 was 0.58 mg/L (measured concentration).

 

EC 270 -737 -2 / CAS No 68477-54-3 (ACC, 2004d): This is a GLP compliant, guideline study. The LL50 of Low DCPD Resin Oil (MRD-03-630) was determined to be 6.3 mg/L (loading rate) and the LC50 was 6.1 mg/L (measured concentration) after 96 hours of exposure.

 

EC 270 -737 -2 / CAS No 68477-54-3 (Sabic, 1989b): This is a GLP compliant, guideline study and is considered adequate for assessment. The 48 and 96 hour LC50 toxicity of C9-Resin feed to Brachydanio rerio was determined as 13.5 mg/L. After 96 hours of exposure, all animals were alive at 10 mg/L but total mortality was observed at 18 mg/L. After 96 hours of exposure, the NOEC was determined as 5.6 mg/L (mortality and condition). All the values are based on nominal concentrations.

  

QSAR predictions:

 

The PETROTOX v4.0 model combines a partitioning model used to calculate the aqueous concentration of hydrocarbon constituents with the Target Lipid Model used to calculate acute and chronic toxicity of non-polar narcotic chemicals. PETROTOX computes toxicity based on the summation of the aqueous-phase concentrations of hydrocarbon block(s) that represent a hydrocarbon substance and membrane-water partition coefficients (KMW) that describe the partitioning of the hydrocarbons between the water and organism.

 

The predicted values were:

 

Species Substance CAS No. LL50 (mg/L)
Oncorhynchus mykiss 68516-20-1 1.47
Oncorhynchus mykiss 101316-62-5 4.07
Oncorhynchus mykiss 68526-56-7 0.66
Oncorhynchus mykiss 68477-54-3 1.04
Oncorhynchus mykiss 94733-07-0 1.34
Oncorhynchus mykiss 68478-10-4 0.65
Oncorhynchus mykiss 65996-79-4 3.81