Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2015
Reliability:
1 (reliable without restriction)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2015
Report date:
2015

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
GLP compliance:
yes
Type of method:
column elution method
Remarks:
or flask

Test material

Constituent 1
Chemical structure
Reference substance name:
Escin
EC Number:
229-880-6
EC Name:
Escin
Cas Number:
6805-41-0
Molecular formula:
C110H172O48
IUPAC Name:
(2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-(acetyloxy)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(2-methylbutanoyl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxane-2-carboxylic acid; (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-(acetyloxy)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2E)-2-methylbut-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxane-2-carboxylic acid
Test material form:
solid: particulate/powder
Remarks:
migrated information: powder

Results and discussion

Water solubility
Key result
Water solubility:
ca. 178.44 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
178.4 g/L
Incubation duration:
2.937 min
Temp.:
20 °C
pH:
7.2

Any other information on results incl. tables

 Injection name  Time  conc.  Volume x dilution  Conc. Saturated solution
   Min  mg/mL  mL  g/l
Escin1 -8   2.956 0.1808  1000  180.82 
 Escin1 -9    2.937 0.1831  1000  183.11 
 Escin2 -8   2.908  0.1856  1000 185.63 
 Escin2 -9   2.912  0.1909   1000  190.92
 Escin3 -8   2.919   0.1705   1000 170.55 
Escin3 -9 2.916  0.1596    1000 159.63 
       Mean  178.44
      Standard deviation   11.41
       RSD%  6.39

Applicant's summary and conclusion

Conclusions:
Escin slightly soluble in water= 178 g/L