2-methylbenzene-1,4-diyl bis{4-[4-(acryloyloxy)butoxy]benzoate}

Partition coefficient

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:

other: Guideline study under GLP conditions

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Report date:

2009

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

2-methylbenzene-1,4-diyl bis{4-[4-(acryloyloxy)butoxy]benzoate}

EC Number:

700-238-1

Cas Number:

132900-75-5

Molecular formula:

C35H36O10

IUPAC Name:

2-methylbenzene-1,4-diyl bis{4-[4-(acryloyloxy)butoxy]benzoate}

Constituent 2

Reference substance name:

4-({4-[4-(Acryloyloxy)butoxy]benzoyl}oxy)-2-methylphenyl 4-[4-(acryloyloxy)butoxy]benzoate

IUPAC Name:

4-({4-[4-(Acryloyloxy)butoxy]benzoyl}oxy)-2-methylphenyl 4-[4-(acryloyloxy)butoxy]benzoate

Details on test material:

Batch PC5
Purity: 97.9 %

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

> 5.1

Temp.:

25 °C

pH:

7

Any other information on results incl. tables

The partition coefficient P_OWmay be estimated from the saturation concentrations in n-octanol and water by the following equation:

P_OW= c_S^octanol / c_S^water                                                         (2)

_S= saturation

With the data obtained from the preliminary tests described in project 20080414.01 and in chapter 4.5.1 the partition coefficient was calculated as: log P_OWbetween 1.7 and 2.0. With the determined water solubility by means of the column elution method, which is a maximum value, the log P_OWof the test item amounts to 4.4 – 4.6. Due to this factthepartition coefficient n-octanol/water of the test item at room temperature was determined by the HPLC-method.

Also the program kowwinnt (part of episuite from SRC) was used for calculating the log P_OWof the test item. The EPI (Estimation Programs Interface) Suite was developed by the EPA´s Office of Pollution Prevention Toxics and Syracuse Research Corporation (SRC). The calculated value was 8.22 for the test item.