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
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: reliability is 2 since data are calculated by EpiSuite

Data source

Reference
Reference Type:
other: Computer model
Title:
Unnamed
Year:
2009
Report Date:
2009

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: Computer model
GLP compliance:
no
Remarks:
not applicable
Type of method:
other: Calculated by computer model

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Details on test material:
the SMILES code used for the calculation was: O=C(c1ccc(cc1C(=O)OCCCCCCCC)C(=O)OCCCCCCCC)OCCCCCCCCCCCC

Results and discussion

Water solubility
Water solubility:
< 0 µg/L
Temp.:
25 °C
pH:
ca. 7

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): insoluble (< 0.1 mg/L)
The water solubility of 1,2,4-Benzenetricarboxylic acid, mixed dodecyl and octyl triesters is very low. The calculated value is 2.644 E-10 mg/L.
Executive summary:

The water solubility of 1,2,4-Benzenetricarboxylic acid, mixed dodecyl and octyl triesters is very low. The calculated value is 2.644 E-10 mg/L.