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EC number: 208-021-9 | CAS number: 505-84-0
Long-term toxicity to fish
Administrative data
Link to relevant study record(s)
- Endpoint:
- long-term toxicity to fish, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- 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:
- QSAR method based on chemical class principle: ECOSAR (v1.11) from EPISUITE (US EPA)
The substance falls within the applicability domain :
- The substance belongs to the class of neutral organics.
- The log Kow is ≤ 5.
- The substance falls within the applicability domain of the KOWWIN (v1.68) QSAR.
- The molecular weight is ≤ 1000 g/mol. - Principles of method if other than guideline:
- QSAR method based on chemical class principle: ECOSAR (v1.11) from EPISUITE (US EPA)
- Key result
- Dose descriptor:
- NOEC
- Effect conc.:
- 7.5 mg/L
- Remarks on result:
- ChV (chronic value, QSAR)
- Details on results:
- ECOSAR Version 1.11 Results Page
SMILES : CCCOCOCCC
CHEM :
CAS Num:
ChemID1:
MOL FOR: C7 H16 O2
MOL WT : 132.20
Log Kow: 1.770 (EPISuite Kowwin v1.68 Estimate)
Log Kow: 2.000 (User Entered)
Log Kow: (PhysProp DB exp value - for comparison only)
Melt Pt: -97.00 (deg C, User Entered for Wat Sol estimate)
Melt Pt: -97.30 (deg C, PhysProp DB exp value for Wat Sol est)
Wat Sol: 3014 (mg/L, EPISuite WSKowwin v1.43 Estimate)
Wat Sol: 3650 (mg/L, User Entered)
Wat Sol: (PhysProp DB exp value)
--------------------------------------
Values used to Generate ECOSAR Profile
--------------------------------------
Log Kow: 2.000 (User Entered)
Wat Sol: 3650 (mg/L, User Entered)
--------------------------------------
ECOSAR v1.11 Class-specific Estimations
--------------------------------------
Neutral Organics
Predicted
ECOSAR Class Organism Duration End Pt mg/L (ppm)
=========================== ================== ======== ====== ==========
Neutral Organics : Fish 96-hr LC50 108.604
Neutral Organics : Daphnid 48-hr LC50 61.666
Neutral Organics : Green Algae 96-hr EC50 45.935
Neutral Organics : Fish ChV 10.616
Neutral Organics : Daphnid ChV 6.014
Neutral Organics : Green Algae ChV 12.029
Neutral Organics : Fish (SW) 96-hr LC50 136.724
Neutral Organics : Mysid 96-hr LC50 101.612
Neutral Organics : Fish (SW) ChV 14.840
Neutral Organics : Mysid (SW) ChV 8.783
Neutral Organics : Earthworm 14-day LC50 229.851
Note: * = asterisk designates: Chemical may not be soluble enough to
measure this predicted effect. If the effect level exceeds the
water solubility by 10X, typically no effects at saturation (NES)
are reported.
------------------------------
Class Specific LogKow Cut-Offs
------------------------------
If the log Kow of the chemical is greater than the endpoint specific cut-offs
presented below, then no effects at saturation are expected for those endpoints.
Neutral Organics:
----------------
Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50, Mysid LC50)
Maximum LogKow: 6.0 (Earthworm LC50)
Maximum LogKow: 6.4 (Green Algae EC50)
Maximum LogKow: 8.0 (ChV)
------------------------------------------------------------------------------ - Validity criteria fulfilled:
- yes
- Conclusions:
- The long-term toxicity to fish was also estimated using the ECOSAR model v1.11 included in the EpiSuite program of US-EPA. The estimated chronic value (ChV) is 10.616 mg/L, the corresponding NOEC is 7.5 mg/L.
- Executive summary:
The long-term toxicity to fish was also estimated using the ECOSAR model v1.11 included in the EpiSuite program of US-EPA. The estimated chronic value (ChV) is 10.616 mg/L, the corresponding NOEC is 7.5 mg/L.
In ECOSAR, the estimated chronic toxicity is expressed as the chronic value (ChV). The ChV, is defined as the geometric mean of the no observed effect concentration (NOEC) and the lowest observed effect concentration (LOEC). To derive a NOEC, the ChV can be divided by √2 (REACH Guidance R10, Table R10-1).
Reference
Description of key information
The long-term toxicity to fish was also estimated using the ECOSAR model v1.11 included in the EpiSuite program of US-EPA. The estimated chronic value (ChV) is 10.616 mg/L, the corresponding NOEC is 7.5 mg/L.
Key value for chemical safety assessment
Fresh water fish
Fresh water fish
- Dose descriptor:
- NOEC
- Effect concentration:
- 7.5 mg/L
Additional information
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