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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Solubility in organic solvents / fat solubility

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Administrative data

Endpoint:
solubility in organic solvents / fat solubility
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2021
Report date:
2021

Materials and methods

Test guideline
Guideline:
other: Estimation using SPARC programm
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Oligomerisation products of o-Diaminotoluene with ethylene oxide and propylene oxide
EC Number:
614-144-2
Cas Number:
67800-94-6
Molecular formula:
C7 H10 N2. ( C3 H6 O )x.(C2 H4 O)y ; 1 < x + y < 8.5
IUPAC Name:
Oligomerisation products of o-Diaminotoluene with ethylene oxide and propylene oxide
Specific details on test material used for the study:
o-TDA + 1EO + 1 PO

Results and discussion

Solubility in organic solvents / fat solubility
Medium:
n-octanol
Solubility:
12 307.702 mg/L
Temp.:
25 °C
Test substance stable:
yes

Any other information on results incl. tables

The estimated n-Octanol solubility of o-TDA + 1EO + 1PO  , calculated with SPARC is 12307.7 mg/l.

Applicant's summary and conclusion

Conclusions:
The estimated n-Octanol solubility of o-TDA + 1EO + 1PO , calculated with SPARC is 12307.7 mg/l