3-methylcyclopentadecan-1-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:

29 March to 01 April 2016

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 specified with purity. Therefore full validation applies.

Qualifier:

according to guideline

Guideline:

OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)

Deviations:

no

Principles of method if other than guideline:

Not applicable

GLP compliance:

yes (incl. QA statement)

Remarks:

inspected on June 3 to 5, 2013 / signed on February 01, 2016

Type of method:

slow-stirring method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature, protected from light, in the tightly closed original container
- Stability under test conditions: Stable

Analytical method:

gas chromatography

Key result

Type:

log Pow

Partition coefficient:

6.06

Temp.:

25 °C

pH:

5.647

Details on results:

The recovery rates of 91-102 % indicate sufficient stability of the test item in the n-octanol stock solution during the course of the study.
The mass balance for both phases (n-Octanol- and Aqueous Phase) was determined to be between 88-97%.

Table 4.7/1: Partition coefficient – results

 

Replicate number	Test duration (h)	Measured concentration		Pow	Log Pow
		in n-octanol (mg/L)	in aq.phase (mg/L)		Single	Mean	SD ±	CV
1	43.14	23425	0.0211	1110524	6.05	6.05	0.02	0.31
	48.14	25852	0.0218	1184599	6.07
	67.46	24199	0.0226	1071043	6.03
	72.49	23680	0.0216	1093872	6.04
2	43.14	24105	0.0228	1056774	6.02	6.00	0.02	0.35
	48.14	23801	0.0231	1028705	6.01
	67.46	24152	0.0255	946894	5.98
	72.49	24262	0.0247	983426	5.99
3	43.14	23531	0.0201	1167995	6.07	6.08	0.01	0.21
	48.14	23860	0.0202	1183116	6.07
	67.46	23890	0.0191	1248381	6.10
	72.49	24242	0.0202	1199253	6.08
				Log Pow, AV		6.056
				Weighted standard deviation		0.079

aq. Phase = Aqueous phase

Pow = Partition coefficient (n-octanol/ water)

Log Pow = Decadic logarithm of the partition coefficient (n-octanol/ water)

SD = Standard deviation

CV = Coefficient of variation [%]

 

Regression analysis demonstrated that the slope of the regression line of the Pow of the four successive samples in each replicate was not significantly different from zero.

 

Validity Criteria

The mean log Pow values in the equilibration time for each replicate (4 sub-samples) did fall within a range of ± 0.3 log.

Temperatures were kept constant at 25 ± 1 °C for each determination of the partition coefficient.

 

Conclusions:

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

Executive summary:

The partition coefficient (n-octanol/water) of the test item was measured under GLP according to the OECD 123 Guideline, slow stirring method.

 

The partition coefficient of the test item was determined employing the slow-stirring method at 25 ± 1 °C from three independent replicates (test vessels) with four sub-replicates (samples) each. The mean log Pow values for each replicate did fall within a range of ± 0.3 log units in the equilibration time. The pH-value of the aqueous phases was determined by a pH-meter at the end of the experimental phase.

 

Analytical evaluation was performed using GC-MS on a capillary analytical column using the test item for external calibration with internal standard correction. The analytical method was validated with satisfactory results regarding linearity, limit of quantification, accuracy, precision and specificity.

 

The partition coefficient (n-octanol/water) (log Pow) of test item was determined at test temperature of 25 ± 1 °C and at a mean pH value of 5.647 from three independent replicates (test vessels) with four subreplicates (samples) to be 6.06 ± 0.08.

Description of key information

The data is relevant for classification in aquatic chronic toxicity hazard class, according to CLP criteria.

The substance has potential to bioaccumulate in the environment (log Kow >4).

Key value for chemical safety assessment

Log Kow (Log Pow):

6.06

at the temperature of:

25 °C

Additional information

A fully reliable experimental study, conducted according to a recognized OECD/EU method, and under GLP, is available. It is considered as a key study. The result is retained as key data.