Registration Dossier
Registration Dossier
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EC number: 852-824-2 | CAS number: 1404220-73-0
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- This substance is hydrolytically unstable and water solubility cannot be directly measured. Modelled data are provided to complete the assessment.
Data source
Reference
- Reference Type:
- other: Modelling report
- Title:
- EPISUITE Modelling of Diisodecyl para cumylphenyl phosphite
- Author:
- U.S. EPA
- Year:
- 2 020
- Bibliographic source:
- EPISUITE Model 4.11
- Report date:
- 2020
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Modelled data
- GLP compliance:
- no
- Type of method:
- other: modelled data
Test material
- Reference substance name:
- Phosphorous acid, esters diisodecyl and mixed 2,4-bis(1-methyl-1-phenylethyl)phenyl
- Molecular formula:
- C35H58O3P
- IUPAC Name:
- Phosphorous acid, esters diisodecyl and mixed 2,4-bis(1-methyl-1-phenylethyl)phenyl
- Test material form:
- liquid
- Details on test material:
- primary constituent in registered substances
Constituent 1
Results and discussion
Water solubility
- Water solubility:
- 0 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- not measured/tested
- Remarks:
- modelled data
- Details on results:
- Water Sol from Kow (WSKOW v1.42) Results:
========================================
Water Sol: 2.315e-009 mg/L
SMILES : O(P(Oc(ccc(c1)C(c(cccc2)c2)(C)C)c1)OCCCCCCCC(C)C)CCCCCCCC(C)C
CHEM : diisodecyl para-cumylphenyl phosphite
MOL FOR: C35 H57 O3 P1
MOL WT : 556.82
---------------------------------- WSKOW v1.42 Results ------------------------
Log Kow (estimated) : 13.03
Log Kow (experimental): not available from database
Log Kow used by Water solubility estimates: 13.03
Equation Used to Make Water Sol estimate:
Log S (mol/L) = 0.796 - 0.854 log Kow - 0.00728 MW + Correction
(used when Melting Point NOT available)
Correction(s): Value
-------------------- -----
No Applicable Correction Factors
Log Water Solubility (in moles/L) : -14.381
Water Solubility at 25 deg C (mg/L): 2.315e-009
Applicant's summary and conclusion
- Conclusions:
- This substance is considered completely insoluble in water. Modelled data indicate a water solubility at 25 deg C (mg/L) of 2.315e-009 mg/L.
- Executive summary:
There is no reliable means of testing the water solubility for this substance since it is subject to rapid hydrolysis. However, based on modelled results the substance is consider highly insoluble in water.
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