1,4,10,13-pentaoxacyclopentadecane

Toxicity to aquatic algae and cyanobacteria

Administrative data

Endpoint:

toxicity to aquatic algae and cyanobacteria

Type of information:

(Q)SAR

Adequacy of study:

key 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

Data source

Reference

Reference Type:

other: QSAR report

Title:

Unnamed

Year:

2021

Materials and methods

Principles of method if other than guideline:

The biological basis for the model centers on the concept that within a chemical class, the
octanol/water partition coefficient (Kow) correlates with lipophilicity and the extent of uptake of
the material into the organism, and therefore, is a strong predictor of toxicity. ECOSAR
identifies chemical classes using the non-stereospecific SMILES coding of the molecule. For
each chemical class that may be identified, a predicted toxicity value may be generated by the
program, if a QSAR for that species and endpoint is available. ECOSAR reports the chemical
domain, based on log Kow, that is applicable to each QSAR.

Test material

Test material information

Constituent 1

Reference substance name:

1,4,10,13-pentaoxacyclopentadecane

EC Number:

251-379-6

EC Name:

1,4,10,13-pentaoxacyclopentadecane

Cas Number:

33100-27-5

Molecular formula:

C10H20O5

IUPAC Name:

1,4,7,10,13-pentaoxacyclopentadecane

Results and discussion

Effect concentrations

Key result

Duration:

96 h

Dose descriptor:

EC50

Effect conc.:

ca. 11 466.63 mg/L