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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Toxicity to aquatic algae and cyanobacteria

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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
Justification for type of information:
1. SOFTWARE

EPI Suite Vers. 4.11

2. MODEL (incl. version number)

ECOSAR Vers. 1.11

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL

CAS-No.: 2396-61-4
Smiles: O(CCCO)CCCO

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL

The documentation of the QSAR Models are available via the help function of the Software. The training and validity sets are
available at http://esc.syrres.com/interkow/EpiSuiteData.htm.

Data source

Reference
Reference Type:
publication
Title:
EPISUITE 4.11 ECOSAR
Year:
2012
Bibliographic source:
US EPA 2012

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on QSARs R.6

Test material

Constituent 1
Chemical structure
Reference substance name:
3,3'-oxydipropanol
EC Number:
219-251-4
EC Name:
3,3'-oxydipropanol
Cas Number:
2396-61-4
Molecular formula:
C6H14O3
IUPAC Name:
3-(3-hydroxypropoxy)propan-1-ol
Test material form:
liquid

Results and discussion

Effect concentrations
Duration:
96 h
Dose descriptor:
EC50
Effect conc.:
2 474 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
growth rate
Remarks on result:
other: QSAR Predicted Value

Applicant's summary and conclusion