Cholest-5-en-3-β-yl acetate

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 08 March 2018 to 25 March 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

other: EU method A.24 (Partition coefficient (n-octanol / water), HPLC method)

Version / remarks:

2016

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Version / remarks:

2004

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)

Version / remarks:

1996

Deviations:

no

GLP compliance:

yes

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

Cholest-5-en-3-β-yl acetate

EC Number:

210-066-4

EC Name:

Cholest-5-en-3-β-yl acetate

Cas Number:

604-35-3

Molecular formula:

C29H48O2

IUPAC Name:

(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate

Test material form:

solid: particulate/powder

Details on test material:

- Appearance: White crystalline powder
- Storage condition: At room temperature

Study design

Analytical method:

high-performance liquid chromatography

Results and discussion

Partition coefficient

Key result

Type:

log Pow

Partition coefficient:

> 7.2

Temp.:

20 °C

pH:

ca. 7

Remarks on result:

not determinable because of methodological limitations

Details on results:

The chromatogram of the test substance showed one peak: the (mean) RT was 43.955 min.
(mean) RT of 4,4’-DDT (log Pow of 6.5): 11.314 min.
(mean) RT of benzo[ghi]perylene (log Pow of 7.2): 18.079 min.

Applicant's summary and conclusion

Conclusions:

The log Pow of the substance at neutral pH and ca. 20°C was determined to be > 7.2.

Executive summary:

The partition coefficient (n-octanol/water) of the substance was determined using the HPLC method. The study was performed in accordance with EC A.8, OECD 117 and OPPTS 830.7570 and in compliance with GLP. An UPLC-UV system was used. The mobile phase was 75/25 (v/v) methanol/water and the wavelength of detection was 210 nm. Two reference substances were injected into the system: 4,4’-DDT (log Pow of 6.5) and benzo[ghi]perylene (log Pow of 7.2). The chromatogram of the test item showed one substance peak at 43.955 min. The retention time of 4,4’-DDT was 11.314 min. and the retention time of benzo[ghi]perylene was 18.079 min. From this it was concluded that the log Pow of the substance at neutral pH and ca. 20°C is > 7.2 (Pow is > 1.6E7).