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Physical & Chemical properties

Water solubility

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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:
2014
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 370 values within the range 0.0306 - 2.84E+05 mg/L from 370 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

Constituent 1
Reference substance name:
11β,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate
EC Number:
221-250-9
EC Name:
11β,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate
Cas Number:
3044-42-6
IUPAC Name:
11-hydroxy-3,20-dioxopregna-1,4,16-trien-21-yl acetate
Constituent 2
Reference substance name:
Prednisolamate
EC Number:
227-064-4
EC Name:
Prednisolamate
Cas Number:
5626-34-6
IUPAC Name:
11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl N,N-diethylglycinate
Constituent 3
Reference substance name:
9-fluoro-11β,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate
EC Number:
215-006-0
EC Name:
9-fluoro-11β,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate
Cas Number:
1250-85-7
IUPAC Name:
9-fluoro-11-hydroxy-3,20-dioxopregna-1,4,16-trien-21-yl acetate
Constituent 4
Reference substance name:
75883-07-7
Cas Number:
75883-07-7
IUPAC Name:
75883-07-7
Constituent 5
Reference substance name:
Amcinafal
EC Number:
223-497-8
EC Name:
Amcinafal
Cas Number:
3924-70-7
IUPAC Name:
8,8-diethyl-4b-fluoro-6b-glycoloyl-5-hydroxy-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
Constituent 6
Reference substance name:
6α,9-difluoro-11β,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate
EC Number:
219-040-7
EC Name:
6α,9-difluoro-11β,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate
Cas Number:
2326-26-3
IUPAC Name:
6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4,16-trien-21-yl acetate
Constituent 7
Reference substance name:
9β,11β-epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate
EC Number:
254-079-3
EC Name:
9β,11β-epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate
Cas Number:
38680-83-0
IUPAC Name:
17-hydroxy-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate
Constituent 8
Reference substance name:
5α,6α-epoxy-3β,17-dihydroxy-16α-methylpregnan-20-one 3-acetate
EC Number:
220-671-5
EC Name:
5α,6α-epoxy-3β,17-dihydroxy-16α-methylpregnan-20-one 3-acetate
Cas Number:
2857-83-2
IUPAC Name:
17-hydroxy-16-methyl-20-oxo-5,6-epoxypregnan-3-yl acetate
Constituent 9
Reference substance name:
9-fluoro-11β,21-dihydroxy-16α,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-acetate
EC Number:
223-388-5
EC Name:
9-fluoro-11β,21-dihydroxy-16α,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-acetate
Cas Number:
3870-07-3
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 acetate
Constituent 10
Reference substance name:
4351-59-1
Cas Number:
4351-59-1
IUPAC Name:
4351-59-1

Results and discussion

Water solubility
Water solubility:
18.7 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 18.7 mg/L has been calculated.

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