Registration Dossier

Ecotoxicological information

Short-term toxicity to aquatic invertebrates

Administrative data

Endpoint:
short-term toxicity to aquatic invertebrates
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
the study does not need to be conducted because the substance is highly insoluble in water, hence indicating that aquatic toxicity is unlikely to occur
Cross-reference
Reason / purpose:
reference to other study
Reference
Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2012
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Calculation by WSKOW v1.42
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Qualifier:
no guideline required
Principles of method if other than guideline:
(Q)SAR
GLP compliance:
no
Type of method:
other: QSAR
Key result
Water solubility:
ca. 2.492 other: 10^{-15} mg/L
Conc. based on:
test mat.
Incubation duration:
24 h
Temp.:
25 °C
pH:
ca. 7
Remarks on result:
other: QSAR

Water Sol: 2.492e-015 mg/L

SMILES : CCCCCCCC[Sn]12(CCCCCCCC)OC(=O[Sn](CCCCCCCC)(CCCCCCCC)(O=C(O1)C(C)(CC)

CCC(C)C)=O2)C(C)(CC)CCC(C)C

CHEM :

MOL FOR: C52 H106 O5 Sn2

MOL WT : 1048.84

---------------------------------- WSKOW v1.42 Results ------------------------

Log Kow (estimated) : 16.14

Log Kow (experimental): not available from database

Log Kow used by Water solubility estimates: 16.14

Equation Used to Make Water Sol estimate:

Log S (mol/L) = 0.796 - 0.854 log Kow - 0.00728 MW + Correction

(used when Melting Point NOT available)

Correction(s): Value

-------------------- -----

No Applicable Correction Factors

Log Water Solubility (in moles/L) : -20.624

Water Solubility at 25 deg C (mg/L): 2.492e-015

Conclusions:
Interpretation of results (migrated information): insoluble (< 0.1 mg/L)
Water Solubility at 25 deg C (mg/L): 2.492e-015

Data source

Materials and methods

Results and discussion

Applicant's summary and conclusion