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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Ecotoxicological information

Short-term toxicity to fish

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Remarks:
estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Calculation of the LC50 of Propanoic acid, 2-hydroxy, C12-C16 (even numbered) alkyl esters based on the individual QSAR data for the C12-C16 lactates.
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 - 96-hr - LC50
- Unambiguous algorithm: not applicable
- Defined domain of applicability: not applicable
- 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.
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Esters:
Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50, Mysid LC50)
Maximum LogKow: 6.0 (Fish 14-day LC50; Earthworm LC50)
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Baseline Toxicity SAR Limitations:
Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50)

Principles of method if other than guideline:
Calculation of the LC50 of a mixture based on individual LC50 values for the components assuming a similar mode of action.
GLP compliance:
no
Specific details on test material used for the study:
Not applicable
Analytical monitoring:
not required
Details on test solutions:
Not applicable
Test organisms (species):
other: Fish in general.
Test type:
other: Based on QSAR values for Baseline Toxicity
Water media type:
freshwater
Limit test:
no
Total exposure duration:
96 h
Hardness:
No data
Test temperature:
No data
pH:
No data
Dissolved oxygen:
No data
Salinity:
No data
Nominal and measured concentrations:
No data
Details on test conditions:
No data
Reference substance (positive control):
not specified
Key result
Duration:
96 h
Dose descriptor:
LC50
Remarks:
Freshwater
Effect conc.:
0.076 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Remarks on result:
other: Ester Class based
Key result
Duration:
96 h
Dose descriptor:
LC50
Remarks:
Sea water
Effect conc.:
0.087 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Remarks on result:
other: Ester class based
Validity criteria fulfilled:
not applicable

Description of key information

Value calculated based on QSAR estimated individual LC50 value for C16 lactate based on ester toxicity.

Key value for chemical safety assessment

Fresh water fish

Fresh water fish
Effect concentration:
0.076 mg/L

Marine water fish

Marine water fish
Effect concentration:
0.087 mg/L

Additional information

Estimation of the 96h-LC50 of Propanoic acid, 2-hydroxy, hexadecyl ester for fish:

Calculated based on QSAR values for Ester Toxicity: 0.076 mg/L (freshwater) and 0.087 mg/L (sea water).