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EC number: 201-796-4 | CAS number: 88-09-5
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- Not available
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- other: Insufficient information for an assessment of reliability.
- Principles of method if other than guideline:
- Not available
- GLP compliance:
- not specified
- Type of method:
- other: Not available
- Key result
- Water solubility:
- 18 000 mg/L
- Temp.:
- 20 °C
- Remarks on result:
- other: Additional information not available
- Conclusions:
- A water solubility of 18000 mg/l at 20 °C was determined for 2-ethylbutyric acid. The registered substance can be regarded as very soluble in water.
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- April 2018
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification
- Justification for type of information:
- 1. SOFTWARE
EPI Suite™
2. MODEL (incl. version number)
WSKOWWIN v1.41 - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Water solubility was predicted in WSKOWWIN (EPI Suite™), which is a Quantitative Structure-Activity Relationship (QSAR) model that uses experimental Log Kow values to determine the endpoint. The accuracy of the prediction is greatly improved if an experimental melting point is included.
- GLP compliance:
- no
- Type of method:
- other: Prediction in WSKOWWIN (EPI Suite™)
- Key result
- Water solubility:
- 9 456 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: Additional information not available
- Conclusions:
- A water solubility of 9456 mg/l at 25 °C was predicted for 2-ethylbutyric acid. The registered substance can be regarded as very soluble in water.
Referenceopen allclose all
Description of key information
A water solubility figure of 18000 mg/l at 20 °C was identified in the SRS PhysProp Database. A figure of 9456 mg/l at 25 °C was predicted in the QSAR model WSKOWWIN™ (Epi Suite). As the former is based on experimental data, 18000 mg/l at 20 °C is determined to be the appropriate key value. 2-Ethylbutyric can be regarded as very soluble in water.
Key value for chemical safety assessment
- Water solubility:
- 18 000 mg/L
- at the temperature of:
- 20 °C
Additional information
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