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: scientifically accepted calculation method

Data source

Reference
Reference Type:
other: estimation software
Title:
Unnamed
Year:
2000

Materials and methods

Test guideline
Guideline:
other: REACH guidance on QSAR R.6, May 2008
Principles of method if other than guideline:
WSKOW program (v1.41): scientifically accepted calculation method for organic chemicals
GLP compliance:
no
Remarks:
not applicable
Type of method:
other: estimated by calculation

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Water solubility
Water solubility:
0.01 - 1.9 mg/L
Temp.:
25 °C
Remarks on result:
other: Water solubility of three constituents: < 0.01 to 1.9 mg/L  (pH: not available)
Details on results:
Water solubility of three constituents of 'Reaction mass of biphenyl-2-yl diphenyl phosphate and triphenyl phosphate and bis(biphenyl-2-yl) phenyl phosphate': < 0.01 to 1.9 mg/L

Any other information on results incl. tables

Summary of water solubility of all constituents (incl. impurity) 

Constituent No.

Constituent

CAS No.

Result Water Solubility at 25°C (version 1.41 estimate)

Result Water Solubility at 25°C (experimental value)

1

Phosphoric acid, [1,1'-biphenyl]-2-yl diphenyl ester

132-29-6

0.008922 mg/L

-----

2

Phosphoric acid, triphenyl ester

115-86-6

1.034 mg/L

1.9 mg/L [SAEGER,VW ET AL. (1979)]

3

Phosphoric acid, bis([1,1'-biphenyl]-2-yl) phenyl ester

597-79-5

9.231e-005 mg/L

-----

4 (Impurity)

[1,1'-Biphenyl]-2-ol, phosphate (3:1)

132-28-5

9.309e-007 mg/L

-----

 

Result: With one exception all constituents [Constituent 1 with CAS 132-29-6, Constituent 3 with CAS597-79-5 and Impurity with CAS 132-28-5] have an estimated water solubility < 0.01 mg/L  these components of the multi-constituent substance ‘Reaction mass of biphenyl-2-yl diphenyl phosphate and triphenyl phosphate and bis(biphenyl-2-yl) phenyl phosphate’ are insoluble in water.

 

The remaining constituent [Constituent 2 with CAS 115-86-6 and a typical concentration range of 20-25%] is slightly soluble (0.1-100 mg/L) in water. This substance has an estimated water solubility of ~ 1mg/L and an experimental value of 1.9 mg/L.

 

Hence, the overall result is:

Water solubility = < 0.01 to 1.9 mg/L 

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
Water solubility of three constituents of 'Reaction mass of biphenyl-2-yl diphenyl phosphate and triphenyl phosphate and bis(biphenyl-2-yl) phenyl phosphate': < 0.01 to 1.9 mg/L  (estimated by calculation)