Hexane-1,3,6-tricarbonitrile

Short-term toxicity to aquatic invertebrates

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2021.08.24-2022.10.19

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test)

GLP compliance:

yes (incl. QA statement)

Analytical monitoring:

yes

Vehicle:

no

Test organisms (species):

Daphnia magna

Details on test organisms:

TEST ORGANISM
- Common name: Daphnia magna
- Age at study initiation (mean and range, SD):6-24 hours
- Source:
Breeder in Eurofins Biolab Test Facility

ACCLIMATION
- Acclimation period: not specified
- Acclimation conditions (same as test or not):same
- Type and amount of food:Green alga
- Health during acclimation (any mortality observed):no

Test type:

static

Water media type:

freshwater

Limit test:

no

Total exposure duration:

48 h

Hardness:

140-250 mg CaCO3 /L

Test temperature:

20℃

Dissolved oxygen:

> 3mg/L

Nominal and measured concentrations:

500, 227.27, 103.31, 46.96, 21.34, 0 mg/L

Reference substance (positive control):

no

Duration:

48 h

Dose descriptor:

EC50

Effect conc.:

> 500 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

mobility

Validity criteria fulfilled:

yes

Conclusions:

The obtained results, in compliance with test acceptability criteria, of the nominal concentration of the test item can be summarised as follow:
ECso (48 h) of the test item “HEXANE-1,3,6-TRICARBONITRILE”: > 500 mg/L

Executive summary:

The ecotoxicological effects of the test item “HEXANE-1,3,6-TRICARBONITRILE”
Daphnia magna has been evaluated according to OECD guideline N. 202. on the cladocero This approach allowed to define a limit not toxic threshold. After a range finding test, the organisms have been exposed to 5 different dilutions of the test item for a total period of 48 hours.
Daphnia have been kept under observations for a period of 48 hours and the number of immobilised organisms and/or possible abnormal behaviours both in control and in treatment group vessels have been observed.
At the beginning and at the end of the test (48 hours) dissolved oxygen and pH have been measured in the highest concentration and in control group. Temperature of the assay environment has been recorded at the beginning and at the end of the test.
Stability of the test item, every 24h, in the definitive test has been performed Using gas chromatography technique (GC) equipped with mass detector (MS) according to method described in STULV22AA3596-1 GLP - MdP.
The obtained results, in compliance with test acceptability criteria, of the nominal concentration of the test
item can be summarised as follow:
ECso (48 h) of the test item “HEXANE-1,3,6-TRICARBONITRILE”: > 500 mg/L

Reference 2

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

(Q)SAR

Adequacy of study:

supporting study

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

Guideline:

other: REACH guidance on QSARs R.6

Principles of method if other than guideline:

General model

Duration:

48 h

Dose descriptor:

EC50

Effect conc.:

10.5 mg/L

5.1.Description of the applicability domain of the model:
The Applicability Domain (AD) is assessed using the original
algorithm implemented within VEGA. An overall AD index is calculated,
based on a number of parameters, which relate to the results obtained on
similar chemicals within the training and test sets.
5.2.Method used to assess the applicability domain:
The chemical similarity is measured with the algorithm developed
for VEGA. Full details in the VEGA website (www.vegahub.eu),
including the open access paper describing it. The AD also evaluates the
correctness of the prediction on similar compounds (accuracy), the
consistency between the predicted value for the target compound and the
experimental values of the similar compounds, the range of the descriptors, and the presence of unusual fragments, using atom centred
fragments. Full details in the VEGA website.
5.3.Software name and version for applicability domain assessment:
VEGA
Virtual models for property Evaluation of chemicals within a Global Architecture
Istituto di Ricerche Farmacologiche Mario Negri Milano, Laboratory of Environmental Chemistry and
Toxicology
https://www.vegahub.eu/
5.4.Limits of applicability:
The model is not applicable on inorganic chemicals and those including
unusual elements (i.e., different from C, O, N, S, Cl, Br, F, I). Salts
can be predicted only if stripped of the counterion and converted to the
neutralized form.

Conclusions:

48h-EC50=10.5 mg/L was predicted.

Key value for chemical safety assessment

Fresh water invertebrates

Fresh water invertebrates

Dose descriptor:

EC50

Effect concentration:

> 500 mg/L