2,3-didehydro-D-erythro-hexono-1,4-lactone

Short-term toxicity to fish

Administrative data

Endpoint:

short-term toxicity to fish

Type of information:

migrated information: read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Data source

Reference

Reference Type:

publication

Title:

acute toxicity of Ascorbic

Author:

Schlienger C. and Groner J.H.

Year:

1991

Bibliographic source:

Hazardous Substances Data bank

Materials and methods

Test guideline

Qualifier:

equivalent or similar to guideline

Guideline:

OECD Guideline 203 (Fish, Acute Toxicity Test)

GLP compliance:

not specified

Test material

Test material information

Constituent 1

Reference substance name:

Ascorbic acid

EC Number:

200-066-2

EC Name:

Ascorbic acid

Cas Number:

50-81-7

IUPAC Name:

5-(1,2-dihydroxyethyl)-3,4-dihydroxyfuran-2(5H)-one (non-preferred name)

Test organisms

Test organisms (species):

Oncorhynchus mykiss (previous name: Salmo gairdneri)

Study design

Test type:

not specified

Water media type:

not specified

Test conditions

pH:

Natural and PH 7.5

Results and discussion

Effect concentrations

Duration:

96 h

Dose descriptor:

LC50

Effect conc.:

> 1 000 mg/L

Details on results:

validity of model:1.defined endpoint: acute toxicity to fish (lethality)
2.unambigous algonthm: linead regression QSAR: Log Toxicity (mmol/L) = -0.8981(log Kow) + 1.7108
3. applicability domain: In the development of the ECOSAR equations for neutral organics and classes with excess toxicity, the training sets generally include chemicals with log Kow values in the range of -3 to 8 and molecular weights less than 1000. However, the domain of the model is considered to be larger than the descriptor range of the training set of chemicals. As discussed in previous sections it has been determined through empirical data that for acute toxicity endpoints, chemicals with a log Kow value >5.0 are generally expected to have no effects at saturation
4.statistical characteristic: the parameter for ester is unknown
5.mechanistic interpretation: The QSARs in ECOSAR for both neutral organics and classes with excess toxicity are based on a linear mathematical relationship between the predicted log Kow values and the corresponding log of the measured toxicity values (mmol/L) for a suite of training set chemicals within each class of interest. The studies collected for the training set chemicals in ECOSAR undergo an extensive data validation step to ensure appropriateness for inclusion in the model.
The QSAR for neutral organics is based on the assumption that all chemicals have a minimal toxicity based on the interference of the chemical with biological membranes, which can be modelled by the octanol-water partition coefficient (Kow). All other chemical classes show excess toxicity compared to the neutral organics. The chemical classes are empirically derived. Nevertheless, a mechanistic basis is often apparent, e.g. reactive chemicals will be more toxic than neutral organics