Hydrogenated Cetyl Olive Oil Esters

Toxicity to aquatic algae and cyanobacteria

Administrative data

Endpoint:

toxicity to aquatic algae and cyanobacteria

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

key study

Study period:

2018

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: REACH guidance on QSARs R.6 (QSPR model adapted specifically from OECD 201 test guideline)

Principles of method if other than guideline:

The growth inhibition of algae was determined using a validated calculation method for the Mechanism of Action (MechoA) in question (MechoA 2.1, i.e. esters whose hydrolysis products are narcotics). This method has previously been validated in an internal publication for acute exposure of non-polar narcosis compounds (Bicherel and Thomas, 2014). The algorithm is based on a QSAR model which has been validated to be compliant with the OECD recommandations for QSAR modeling (OECD, 2004; OECD, 2007). The QSAR model is based on validated data from a training set of 40 chemicals derived from 72-hour test on algae, for which the concentrations of the test item had been determined by chemical analyses over the test period. Further to this the effective loading rate of the WAF is determined by using a series of calculation steps using phase equilibrium thermodynamics and
excluding the non-bioavailable fraction, this approach is based on validated data derived from 72-hour ErL50 tests on algae, for which the concentrations of the test item had been determined by chemical analyses over the test period.

Test material

Test material information

Constituent 1

Reference substance name:

Hydrogenated Stearyl Olive Oil Esters

Molecular formula:

not available

IUPAC Name:

Hydrogenated Stearyl Olive Oil Esters

Test material form:

solid

Specific details on test material used for the study:

SMILES:
- stearyl octadecanoate: CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC
- stearyl hexadecanoate: CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
- glyceryl monostearate: CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
- glyceryl distearate: CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)O
- glyceryl tristearate: CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

Test organisms

Test organisms (species):

Raphidocelis subcapitata (previous names: Pseudokirchneriella subcapitata, Selenastrum capricornutum)

Results and discussion

Effect concentrations

Key result

Duration:

72 h

Dose descriptor:

other: ErL50

Conc. based on:

test mat. (dissolved fraction)

Basis for effect:

growth rate

Remarks on result:

other: > water solubility limit

Remarks:

Calculated value

Applicant's summary and conclusion

Validity criteria fulfilled:

not applicable

Conclusions:

According to QSAR model adapted specifically from OECD 201 test guideline, the aquatic algae toxicity (72-h) of the test item is > water solubility limit.