Registration Dossier
Registration Dossier
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EC number: 276-705-4 | CAS number: 72498-89-6
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- other: trend analysis
- Adequacy of study:
- key study
- Study period:
- 2014
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Solubility has been obtained by trend analysis from category members using the OECD Toolbox v.3.2.
Data source
Reference
- Reference Type:
- other: software
- Title:
- QSAR ToolBox 3.2.0.103
- Author:
- OECD
- Year:
- 2 014
- Bibliographic source:
- http://www.oecd.org/env/ehs/risk-assessment/theoecdqsartoolbox.htm
Materials and methods
- Principles of method if other than guideline:
- Water solybility of the target chemical is predicted from category members using trend analysis based on 18 values within the range 1.00 - 120 mg/L from 18 category members. Category members are single chemicals or mixtures and are selected based on the profile of the target chemical. Only chemicals having experimental data are used in the category.
- Type of method:
- other: trend analysis
Test material
- Reference substance name:
- 9-fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 17-valerate
- EC Number:
- 218-439-3
- EC Name:
- 9-fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 17-valerate
- Cas Number:
- 2152-44-5
- IUPAC Name:
- 9-fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl valerate
- Reference substance name:
- Prednisolone 21-pivalate
- EC Number:
- 214-172-1
- EC Name:
- Prednisolone 21-pivalate
- Cas Number:
- 1107-99-9
- IUPAC Name:
- 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate
- Reference substance name:
- 17-hydroxy-6-methylpregna-4,6-diene-3,20-dione 17-acetate
- EC Number:
- 209-864-5
- EC Name:
- 17-hydroxy-6-methylpregna-4,6-diene-3,20-dione 17-acetate
- Cas Number:
- 595-33-5
- IUPAC Name:
- 6-methyl-3,20-dioxopregna-4,6-dien-17-yl acetate
- Reference substance name:
- 2668-75-9
- EC Number:
- 607-988-8
- Cas Number:
- 2668-75-9
- IUPAC Name:
- 2668-75-9
- Reference substance name:
- Fluorometholone
- EC Number:
- 207-041-5
- EC Name:
- Fluorometholone
- Cas Number:
- 426-13-1
- IUPAC Name:
- 9-fluoro-11,17-dihydroxy-6-methylpregna-1,4-diene-3,20-dione
- Reference substance name:
- Dexamethasone 21-acetate
- EC Number:
- 214-646-8
- EC Name:
- Dexamethasone 21-acetate
- Cas Number:
- 1177-87-3
- IUPAC Name:
- 9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate
- Reference substance name:
- Delmadinone acetate
- EC Number:
- 237-219-8
- EC Name:
- Delmadinone acetate
- Cas Number:
- 13698-49-2
- IUPAC Name:
- 6-chloro-3,20-dioxopregna-1,4,6-trien-17-yl acetate
- Reference substance name:
- Prednisolone 21-acetate
- EC Number:
- 200-134-1
- EC Name:
- Prednisolone 21-acetate
- Cas Number:
- 52-21-1
- IUPAC Name:
- 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate
- Reference substance name:
- Triamcinolone hexacetonide
- EC Number:
- 227-031-4
- EC Name:
- Triamcinolone hexacetonide
- Cas Number:
- 5611-51-8
- IUPAC Name:
- 2-(4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl 3,3-dimethylbutanoate
- Reference substance name:
- Hydrocortisone 21-acetate
- EC Number:
- 200-004-4
- EC Name:
- Hydrocortisone 21-acetate
- Cas Number:
- 50-03-3
- IUPAC Name:
- 11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl acetate
Constituent 1
Constituent 2
Constituent 3
Constituent 4
Constituent 5
Constituent 6
Constituent 7
Constituent 8
Constituent 9
Constituent 10
Results and discussion
Water solubility
- Water solubility:
- 11.5 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: Calculated by OECD Toolbox v.3.2
Any other information on results incl. tables
The target chemical FALLS within applicability domain of the method.
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
By this trend analysis a water solubility of 11.5 mg/L has been calculated.
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