Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
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EC number: 253-211-7 | CAS number: 36788-39-3
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- weight of evidence
- Study period:
- 2013
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Modelled data provided from well regarding model.
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Modelled data generated using EPISUITE 4.0 model WSKOW v1.41.
- GLP compliance:
- no
- Type of method:
- other: modelled data
- Water solubility:
- 6 656 mg/L
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: modelled results using WSKOW v1.41
- Details on results:
- Water Sol from Kow (WSKOW v1.41) Results: ======================================== Water Sol: 6656 mg/LSMILES : OC(COCC(OP(OC(COCC(O)C)C)OCC(OC(CO)C)C)C)C CHEM : Tris Dipropylene Glycol Phosphite MOL FOR: C18 H39 O9 P1 MOL WT : 430.48 ---------------------------------- WSKOW v1.41 Results ------------------------Log Kow (estimated) : -1.56 Log Kow (experimental): not available from database Log Kow used by Water solubility estimates: 1.20 (user entered)Equation Used to Make Water Sol estimate: Log S (mol/L) = 0.693-0.96 log Kow-0.0092(Tm-25)-0.00314 MW + Correction Melting Pt (Tm) = -40.00 deg C (Use Tm = 25 for all liquids) Correction(s): Value -------------------- ----- No Applicable Correction Factors Log Water Solubility (in moles/L) : -1.811 Water Solubility at 25 deg C (mg/L): 6656
- Conclusions:
- Interpretation of results (migrated information): other: uncertain of the reliability of the modelThe WSKOW v1.41 component model of EPISUITE 4.0 predicts this substance will have a relevatively high water solubility; however, the handling experience of the manufacturer indicates that it is insoluble in water. The substance readily hydrolyzes making water solubility studies very difficult. The hydrolysis products(dipropylene glycol and phosphorous acid) are soluble in water.
- Executive summary:
The WSKOW v1.41 component model of EPISUITE 4.0 predicts this substance will have a relevatively high water solubility; however, the handling experience of the manufacturer indicates that it is insoluble in water. The substance readily hydrolyzes making water solubility studies very difficult. The hydrolysis products(dipropylene glycol and phosphorous acid) are soluble in water.
Reference
Description of key information
The WSKOW v1.41 component model of EPISUITE 4.0 predicts this substance will have a relevatively high water solubility; however, the handling experience of the manufacturer indicates that it is insoluble in water. The substance readily hydrolyzes making water solubility studies very difficult. The hydrolysis products(dipropylene glycol and phosphorous acid) are soluble in water.
Key value for chemical safety assessment
- Water solubility:
- 6 656 mg/L
- at the temperature of:
- 25 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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