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Registration Dossier
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EC number: 232-311-4 | CAS number: 8002-50-4 Extractives and their physically modified derivatives such as proteins, carbohydrates, lipids, nucleic acids, inorganic ions, etc. obtained from Brevoortia tyrannis.
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Value is predicted from model. Thus, it provides an approximation compared to experimental measures.
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The water solubility is estimated from the log Kow (WSKOW v1.42). Equation for estimation of the water solubility from log Kow (WSKOW v1.42): Log solubility (mol/L) = 0.796 - 0.854 log Kow - 0.00728 MW + correction
- GLP compliance:
- no
- Type of method:
- other: Calculation
- Specific details on test material used for the study:
- SMILES: CCCCCCCCCCCCCCCC(=O)(OCC(COC(=O)(CCCCCCCC=CCC=CCCCCC))OC(=O)(CCCCCCCCCCCCCCCCCCC)); MOL FOR: C57 H106 O6; MOL WT : 887.48;
- Water solubility:
- 0 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: WSKOW v1.42
- Conclusions:
- The predicted value for the water solubility of menhaden oil at 25°C is 1.619e-20 mg/L.
- Executive summary:
The given water solubility is calculated from Kow by WSKOW, using EPI Suite. This model predicts a very low value for the water solubility at 25°C (< 2e-20 mg/L). The EPA recommend that EPI Suite is a screening-level tool and should not be used if acceptable measured values are available.
Reference
---------------------------------- WSKOW v1.42 Results ------------------------
Log Kow (estimated) : 23.51
Log Kow (experimental): not available from database
Log Kow used by Water solubility estimates: 23.51
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) : -25.739
Water Solubility at 25 deg C (mg/L): 1.619e-020
Description of key information
A calculation based on the partition coefficient predicts a very low value (< 2x10-20mg/L) for the water solubility of menhaden oil. The oil is therefore expected to be practically insoluble in water.
Key value for chemical safety assessment
- Water solubility:
- 0 mg/L
- at the temperature of:
- 25 °C
Additional information
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