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Physical & Chemical properties

Solubility in organic solvents / fat solubility

Administrative data

Endpoint:
solubility in organic solvents / fat solubility
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
between 22 September 2016 and 08 November 2017
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
comparable to guideline study with acceptable restrictions

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
This test was only performed to give an impression of the solubility of Dipentaerythritol Hexa(3-mercaptopropionate) in different organic solvents. It does not raise the claim to determine exact solubility in g/L.
GLP compliance:
no
Other quality assurance:
other: ISO 9001:2008

Test material

Constituent 1
Chemical structure
Reference substance name:
2-[[3-(3-mercapto-1-oxopropoxy)-2,2-bis[(3-mercapto-1-oxopropoxy)methyl]propoxy]methyl]-2-[(3-mercapto-1-oxopropoxy)methyl]propane-1,3-diyl bis[3-mercaptopropionate]
EC Number:
246-893-2
EC Name:
2-[[3-(3-mercapto-1-oxopropoxy)-2,2-bis[(3-mercapto-1-oxopropoxy)methyl]propoxy]methyl]-2-[(3-mercapto-1-oxopropoxy)methyl]propane-1,3-diyl bis[3-mercaptopropionate]
Cas Number:
25359-71-1
Molecular formula:
C28H46O13S6
IUPAC Name:
3-[(3-sulfanylpropanoyl)oxy]-2-[(3-[(3-sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propoxy)methyl]-2-{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate (non-preferred name)
Test material form:
liquid

Results and discussion

Solubility in organic solvents / fat solubilityopen allclose all
Key result
Medium:
other: n-hexane
Solubility:
< 0.1 g/L
Temp.:
20 °C
Key result
Medium:
acetonitrile
Solubility:
>= 1 000 g/L
Temp.:
20 °C
Key result
Medium:
ethanol
Solubility:
< 0.1 g/L
Temp.:
20 °C
Test substance stable:
not determined

Applicant's summary and conclusion

Conclusions:
Based on the definition in the European Pharmacopoeia, Dipentaerythritol Hexa(3-mercaptopropionate) is infinitely soluble in Acetonitrile and insoluble in Hexane and Ethanol.