Registration Dossier
Registration Dossier
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EC number: 203-778-1 | CAS number: 110-56-5
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2016-06-02
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- The result was determined by QSAR estimation with the programme EPI Suite using WSKOW v1.42 that is recommended in the REACH Guidance on information requirements and chemical safety assessment (2008), Chapter R.6.1.8.5, thus the calculated value is reliable with restrictions.
Data source
Reference
- Reference Type:
- other: QSAR method
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR estimation
- Deviations:
- no
- Principles of method if other than guideline:
- calculated result with EPISUITE, WSKOW v1.42 software
- GLP compliance:
- no
- Type of method:
- other: QSAR estimation
Test material
- Reference substance name:
- 1,4-dichlorobutane
- EC Number:
- 203-778-1
- EC Name:
- 1,4-dichlorobutane
- Cas Number:
- 110-56-5
- Molecular formula:
- C4H8Cl2
- IUPAC Name:
- 1,4-dichlorobutane
- Test material form:
- liquid
- Details on test material:
- - SMILES code: CLCCCCCL
Constituent 1
Results and discussion
Water solubility
- Key result
- Water solubility:
- 373.4 mg/L
- Conc. based on:
- not specified
- Temp.:
- 25 °C
- Remarks on result:
- other: QSAR method used
- Details on results:
- calculated result with EPISUITE, WSKOW v1.42 software
Any other information on results incl. tables
The water solubility was calculated with WSKOW v1.42 software.
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): moderately soluble (100-1000 mg/L)
The water solubility of 1,4-Dichlorobutane was calculated as 373.4 mg/L at 25°C.
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