Registration Dossier

Administrative data

Endpoint:
partition coefficient
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 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
(3β,20β)-3-acetoxy-11-oxoolean-12-en-29-oic acid
EC Number:
228-475-1
EC Name:
(3β,20β)-3-acetoxy-11-oxoolean-12-en-29-oic acid
Cas Number:
6277-14-1
Molecular formula:
C32H48O5
IUPAC Name:
(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Test material form:
solid: particulate/powder
Remarks:
migrated information: powder

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
ca. 4.77
Temp.:
35 °C
pH:
ca. 2.25
Remarks on result:
other: Mean of 3 results.

Any other information on results incl. tables

 Elution condiction  Log K  Log K ow
 20:80  3.1014 0.4916   4.77
 (water: MeOH) 3.1014   0.4916  4.77
at 35°C and pH=2.25  3.1074   0.4924  4.77
      Mean= 4.77 (RSD% 0.03) 

Applicant's summary and conclusion

Conclusions:
The Log Pow of Acetyl Glycyrrhetinic Acid is: 4.77.