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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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 for cross-reference:
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