7-Isopropyl-2H,4H-1,5-benzodioxepin-3-one

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From December 1 to 12, 2008

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

The study was conducted according to an internationally recognised method, and under GLP. No deviation was reported. Test substance is adequately characterised with purity. Therefore full validation applies.

Reason / purpose for cross-reference:

reference to other study

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

1:1"Apr/I 2004

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Version / remarks:

Regulation (EC) No 440/2008

Deviations:

no

Principles of method if other than guideline:

Not applicable

GLP compliance:

yes (incl. QA statement)

Remarks:

Swiss GLP compliance programme (inspected on November 15 and 16, 2006 / signed on March 29, 2007)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Storage condition of test material: Refrigerator (between 0 and 10 °C under nitrogen)

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

2.46

Temp.:

30 °C

pH:

6

Preliminary estimate

Approximate P_ow: 2.19 x 10³

Log₁₀P_ow estimate: 3.34

Definitive test

Regression parameters: log Pow = 3.1280 x log k + 2.2267 (r = 0.9909)

Table 4.7/1:Partition coefficient of sample

	RT 1	RT 2	RT 3	RT 4	RT 5	Mean RT	STD	CV%	K	Log10K	Log10Pow
	(min)	(min)	(min)	(min)	(min)	(min)
(To) Dead time	3.15	3.15	3.15	3.15	3.15	3.15	0.00	0.00%	0.01	-	-
ST 21 C 08	6.90	6.88	6.90	6.90	6.88	6.89	0.01	0.16%	1.188	0.075	2.46

 

RT = Retention time

Mean RT = = Mean retention time

STD = standard deviation

CV= coefficient of variation

Mean log10Pow: 2.46

Partition coefficient: 2.88 x 10²

Conclusions:

The substance has low potential to bioaccumulate in the environment, according to CLP classification criteria for aquatic chronic toxicity (log Kow <4).

Executive summary:

The partition coefficient of the test substance was measured under GLP according to the OECD 117/EU A8 guideline, HPLC method. The system was calibrated with 6 reference substances, and the result for the sample was interpolated from the linear regression.

Partition coefficient (log Pow) = 2.46 at 30°C.

Description of key information

The substance has low potential for bioaccumulation, according to Regulation (EC) No.1272/2008 (CLP) criteria for classification in aquatic chronic toxicity hazard class (log Kow <4).

It should also be of no concern for PBT assessment.

Key value for chemical safety assessment

Log Kow (Log Pow):

2.46

at the temperature of:

30 °C

Additional information

A fully reliable experimental study, conducted according to a recognized EC method (HPLC) and under GLP, is available. It is considered as a key study. The result is retained as key data.