Registration Dossier

Administrative data

Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
2010 calculated
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The reliability rating was 2 because the data were calculated.

Data source

Reference
Reference Type:
other: computer model
Title:
Unnamed
Year:
2000
Report date:
2010

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: computer model
Principles of method if other than guideline:
The water solubility was calculated using the log kow using the WSKow (v1.41) Epi Suite (2000)(v.3.12) computer model that estimates the water solubility based upon chemical structure and log octanol water partition coefficient.
GLP compliance:
no
Type of method:
other: EPI Suite v3.12 calculation method

Test material

Constituent 1
Reference substance name:
Ester reaction products of isodecyl and isotridecyl alcohols with trimellitic anhydride
IUPAC Name:
Ester reaction products of isodecyl and isotridecyl alcohols with trimellitic anhydride
Details on test material:
SMILES notation used in calculation: CC(CCCCCCCOC(=O)(c1cc(C(=O)(OCCCCCCCC(C)C))c(C(=O)(OCCCCCCCCCCC(C)C))cc1))C. This represent one of many possible isomeric structures for the ester reaction products of isodecyl and isotridecyl alcohols with trimellitic anhydride, the registrant test substance.

Results and discussion

Water solubility
Water solubility:
0 µg/L
Temp.:
25 °C
pH:
7
Remarks on result:
other: water solubility estimated to be 1.12 e-12 mg/L or 0.00000000112 µg/L

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): insoluble (< 0.1 mg/L)
The test substance was estimated to have a water solubility of 1.12 e-12 mg/L at 25 C using the WSKOW model in EPI Suite v3.12. These results indicate that the test substance is expected to have extremely low water solubility.
Executive summary:

The test substance was estimated to have a water solubility of 1.12 e-12 mg/L at 25 C using the WSKOW model in EPI Suite v3.12. These results indicate that the test substance is expected to have extremely low water solubility.