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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2019
Report date:
2019

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
(4aR,4bS,6aS,7S,7aS,8aS,8bR,8cR)-7-[2-(1,3-dioxolan-2-yl)ethyl]-2-methoxy-4a,6a-dimethyl-3,4,4a,4b,5,6,6a,7,7a,8,8a,8b,8c,9-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7-ol
EC Number:
618-226-9
Cas Number:
889652-22-6
Molecular formula:
C26H38O4
IUPAC Name:
(4aR,4bS,6aS,7S,7aS,8aS,8bR,8cR)-7-[2-(1,3-dioxolan-2-yl)ethyl]-2-methoxy-4a,6a-dimethyl-3,4,4a,4b,5,6,6a,7,7a,8,8a,8b,8c,9-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7-ol
Test material form:
solid: crystalline

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
6
Temp.:
30 °C
pH:
10.09
Details on results:
Determination of the partition coefficient of Cyclopropyl-enolether-acetal (CAS No. 889652-22-6) was based on the measurement of retention time of the test and reference items by reverse phase HPLC method. The retention times of the test and reference items were determined in two replicates injecting twice both of them. The test item was dissolved in methanol/ultrapure water (75:25) to obtain a final concentration of 100 mg/l.
Dead-time measured by Thiourea was 0.922 minute.
In order to correlate the calculated capacity factor k of test item with its logPow, a calibration graph using six reference substances in the logPow, range of 2.1 – 5.7 logPow values were used. The value of partition coefficient of Cyclopropyl-enolether-acetal (CAS No. 889652-22- 6) was determined by Microsoft Office Excel 2013. The following value was calculated: logPow= 6.0
The value of partition coefficient of the test item was outside the range of partition coefficients of references standards (logPow > 5.7), the calculated result must be interpreted by precaution.

Applicant's summary and conclusion

Conclusions:
The estimated mean logPow of Cyclopropyl-enolether-acetal is 6.0