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Ecotoxicological information

Long-term toxicity to fish

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Reference
Endpoint:
long-term toxicity to fish, other
Remarks:
chronic exposure
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
1. SOFTWARE: OECD QSAR TOOLBOX
2. MODEL (incl. version number): ECOSAR v1.1 Class-specific Estimations
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: O=C(OCCCCC[CC]CC]CCCCCCC)C(O)C
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint: Fish - Chronic Value (ChV) = 10^([log (LOEC x NOEC)]/2)
- 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.
Esters: Maximum LogKow: 8.0 (ChV)
Baseline Toxicity SAR Limitations: Maximum LogKow: 8.0 (ChV)
Principles of method if other than guideline:
Calculation of the long-term effect concentration of a mixture based on individual values for the components assuming a similar mode of action.
GLP compliance:
no
Analytical monitoring:
not required
Test organisms (species):
not specified
Test type:
not specified
Water media type:
freshwater
Limit test:
no
Remarks on exposure duration:
ChV is a chronic value with undefined duration.
Hardness:
approximately 150 mg/L CaCO3, r
Test temperature:
abient
pH:
7
Dissolved oxygen:
100%
Salinity:
not applicable
Conductivity:
not specified
Details on test conditions:
The total organic carbon content should not exceed 2 mg/L
Key result
Dose descriptor:
other: ChV
Effect conc.:
0.01
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
other: sub-lethal effects
Remarks on result:
ChV (chronic value, QSAR)

Estimation of the chronic value of Propanoic acid, 2-hydroxy, C12-C16 (even numbered) alkyl esters for fish:

Calculated based on QSAR values for Ester Toxicity:

Lactate ChV 1/ChV f f/ChV
Dodecyl lactate 0.037 27.0 0.60 16.22
Tetradecyllactate 0.009 111 0.30 33.33
Hexadecyllactate 0.002 500 0.10 50.0
Σf/ChV 99.55

ChV of Propanoic acid, 2-hydroxy, C12-C16 (even numbered) alkyl esters 

0.01

f= estimated average fraction of chemical in mixtur

Description of key information

Chronic value (ChV) calculated based on QSAR estimated individual ChV values for the C12, C14 and C16 lactates being the main constituents of Propanoic acid, 2-hydroxy, C12-C16 (even numbered) alkyl esters.

Key value for chemical safety assessment

EC10, LC10 or NOEC for freshwater fish:
0.01

Additional information

Estimation of the chronic value of Propanoic acid, 2-hydroxy, C12-C16 (even numbered) alkyl esters for fish:

Calculated based on QSAR values for Ester Toxicity:

Lactate ChV 1/ChV f f/ChV
Dodecyl lactate 0.037 27.0 0.60 16.22
Tetradecyllactate 0.009 111 0.30 33.33
Hexadecyllactate 0.002 500 0.10 50.0
Σf/ChV 99.55

ChV ofPropanoic acid, 2-hydroxy, C12-C16 (even numbered) alkyl esters 

0.01

f= estimated average fraction of chemical in mixtur