2-[(2-hydroxyphenyl)methyl]phenol; 2-[(4-hydroxyphenyl)methyl]phenol; 4-[(4-hydroxyphenyl)methyl]phenol

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Testing was conducted between the 8th March and 2nd April 2018.

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

2-[(2-hydroxyphenyl)methyl]phenol; 2-[(4-hydroxyphenyl)methyl]phenol; 4-[(4-hydroxyphenyl)methyl]phenol

EC Number:

908-912-9

Cas Number:

1333-16-0

Molecular formula:

C39H36O6

IUPAC Name:

2-[(2-hydroxyphenyl)methyl]phenol; 2-[(4-hydroxyphenyl)methyl]phenol; 4-[(4-hydroxyphenyl)methyl]phenol

Test material form:

solid

Specific details on test material used for the study:

Product name : Bisphenol-F(Reaction mass of 2,2’-methylenediphenol and 4,4’-methylenediphenol and o-[(4-hydroxyphenyl)methyl]phenol)
CAS No. : 1333-16-0
Lot No: KZ517047
Date received : 2018. 02. 27
Amount : 38.06 g(Including container)
Expiration date : 2018. 06. 30.
Appearance: Light pink or citrine solid
Purity : 97.4 %
Molecular formula : C13H12O2
Molecular weight : 200.233 g/mol
Storage condition : Room temperature (1 ~ 30 °C)

Study design

Analytical method:

high-performance liquid chromatography

Results and discussion

Partition coefficient

Key result

Type:

log Pow

Partition coefficient:

2.91

Temp.:

20 °C

Remarks on result:

other: pH value not stated within report

Details on results:

RESULTS AND DISCUSSION: Please also see tables 1 and 2 which can be found within the any other information on results section of this robust study summary.
Allowable standard deviation of log Pow values should be no more than ± 0.3. The standard deviation for 9 treatments in which the test solution of 0.01 mol/L level was repeated 3 times at different dose ratios of 1 mL, 2 mL and 4 mL for Bisphenol-F (Reaction mass of 2,2’-methylenediphenol and 4,4’-methylenediphenol and o-[(4-hydroxyphenyl)methyl]phenol) was ± 0.01, it was within acceptable range the specified by guidelines.

There was no environmental condition which might have affected the reliability of the test results and according to the “Testing Guidelines for Studies of Chemicals” by the National Institute of Environmental Research, Korea and OECD Guideline. The Log Pow values of Bisphenol-F(Reaction mass of 2,2’-methylenediphenol and 4,4’-methylenediphenol and o-[(4-hydroxyphenyl)methyl]phenol) from the all three runs with the different test substance solvent ratios were 2.90 ± 0.02, 2.91 ± 0.01 and 2.91 ± 0.00, respectively and the average value of log Pow was calculated to be 2.91 ± 0.01.

Any other information on results incl. tables

6.Tables

Table 1. Recovery of test substance by HPLC analysis

Sample	Replicate	Application concentration (µg/mL)	Sample concentration (µg/mL)	Recovery(%)^a	Mean ± SD^b
Octanol layer	1 2	100	106 110	106 110	108 ± 2
	3		109	109
Water layer	1 2	5	5.01 5.02	100 100	101 ± 2
	3		5.13	103

^a: (Sample concentration/Application concentration) x 100^b: Standard deviation

          

Table 2. Octanol/Water partition coefficient of test substance:

Table 2 is attached within the attached background materials section of this robust study summary.

Applicant's summary and conclusion

Conclusions:

Octanol/water partition coefficient of Bisphenol-F (Reaction mass of 2,2’-methylenediphenol and 4,4’-methylenediphenol and o-[(4-hydroxyphenyl)methyl]phenol) is 2.91 at 20 °C. Because this value of Log Pow is less than 3, the test substance could be classified as a low bioconcentration chemical substance within the aquatic environment.

Executive summary:

Octanol/water partition coefficient of Bisphenol-F (Reaction mass of 2,2’-methylenediphenol and 4,4’-methylenediphenol and o-[(4-hydroxyphenyl)methyl]phenol) was performed following Testing Guidelines for Studies of Chemicals, Section 2.1, “Partition Coefficient Study”(Notification No. 2017-4, issued by the National Institute of Environmental Research, Korea on March 14, 2017) and OECD Guidelines for Testing of Chemicals, 107, Partition Coefficient (n-octanol/water) : Shake Flask Method(adopted on 27th July 1995).

The results of octanol/water partition coefficient of Bisphenol-F (Reaction mass of 2,2’-methylenediphenol and 4,4’-methylenediphenol and o-[(4-hydroxyphenyl)methyl]phenol) were as follows:

1) The recovery rates of the test substance, Bisphenol-F(Reaction mass of 2,2’-methylenediphenol and 4,4’-methylenediphenol and o-[(4-hydroxyphenyl)methyl]phenol), were 108 ± 2 % in 1- octanol phase and 101 ± 2 % in water phase, respectively.

2) The values of log Pow treated with three different volume ratios of test substance solution were calculated to be 2.90 ± 0.02, 2.91 ± 0.01 and 2.91 ± 0.00, respectively.

As a result, octanol/water partition coefficient of Bisphenol-F(Reaction mass of 2,2’-methylenediphenol and 4,4’-methylenediphenol and o-[(4-hydroxyphenyl)methyl]phenol) was 2.91 at 20 °C. This result indicates that the bio-concentration potential of test substance is low within the aquatic environment.