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EC number: 500-258-9 | CAS number: 74775-06-7 1 - 2.5 moles propoxylated
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- other: Endpoint Assessment Report
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- - Principle of test: Screening procedure used to assess the water solubility of PPG-2 myristic ether propionate.
- Short description of test conditions: The assessment is based on an examination of the chemical functionality present within the substance and on predictive models, namely US EPA Estimation Program Interface (EPI) Suite version 4.11.
- Parameters analysed / observed: Estimations made using SMILES input into the WSKOWWIN™ module (v1.42), built into EPI Suite v4.11. WSKOWWIN™ estimates n-octanol/water partition coefficient (log Kow ) using the KOWWIN™ v1.68 program. The Kow is then used to estimate water solubility. All water solubility calculations were made without the availability of the melting points. - GLP compliance:
- no
- Type of method:
- other: Endpoint assessment
- Key result
- Remarks on result:
- other: Quantitive result not determined
- Conclusions:
- (Q)SAR predictions support the assessment that the substances have low water solubilities (typically <<1 mg/L) and high log Kow (>6), typically associated with highly insoluble substances.
- Executive summary:
PPG-2 myristic ether propionate has been assessed for water solubility based on an examination of the chemical functionality present within the substance and on predictive models.
The constituents of the substance are expected to be insoluble in water due to the presence of long non-polar hydrocarbon chains. Ester and alcohol functionalities are also present which may confer some degree of water solubility to the structures; alcohol moieties can act as both hydrogen bond donors and acceptors, and ester groups are hydrogen bond acceptors. The ether moiety is a poor hydrogen bond acceptor. However it is believed that the presence of these functionalities would not be enough to offset the lipophilicity of the tetradecyl (C14) hydrocarbon chains. The substance is therefore expected to be highly insoluble in water, based on the overall non-polar nature of the constituents present. (Q)SAR predictions support the assessment that the substances have low water solubilities (typically <<1 mg/L) and high log Kow (>6), typically associated with highly insoluble substances.
Reference
Description of key information
Estimated water solubilities of the constituents ranged from 0.001361 - 0.1828 mg/L at 25 °C.
Key value for chemical safety assessment
- Water solubility:
- 0.18 mg/L
- at the temperature of:
- 25 °C
Additional information
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