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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
There is a partition coeddicuent required for assesssment of bioaccumulation.

THe assesor is aware that metalorganic compounds out of the prediction range of the model and the the models are nor designed for very high parttion coefficient

Data source

Reference
Reference Type:
other: VEGA reoirt
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
see free text justification and attached qusar document
GLP compliance:
no
Type of method:
other: QSAR

Test material

Constituent 1
Chemical structure
Reference substance name:
Bis(neodecanoyloxy)dioctylstannane
EC Number:
269-595-4
EC Name:
Bis(neodecanoyloxy)dioctylstannane
Cas Number:
68299-15-0
Molecular formula:
C36H72O4Sn
IUPAC Name:
Neodecanoic acid, 1,1'-(dioctylstannylene) ester
Test material form:
liquid

Study design

Analytical method:
not specified

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
12.16
Temp.:
20 °C
pH:
20

Applicant's summary and conclusion

Conclusions:
predicted logPow = 12.16