(Z)-3-hexenyl salicylate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

19th July 1995 to 25th July 1995

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions.

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Deviations:

no

GLP compliance:

yes

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

4.8

Temp.:

25 °C

pH:

ca. 7

Table 2: Partition coefficient by reverse-phase HPLC

Substance	log Pow	tR1	tR2	tRm	k	log k
Thiourea	-	1.37	1.37	1.37
Aniline	0.9	2.06	2.05	2.05	0.505	-0.297
Acetophenone	1.7	2.47	2.46	2.46	0.804	-0.094
Benzophenone	3.2	4.49	4.48	4.49	2.585	0.359
Naphthalene	3.6	5.43	5.42	5.43	2.973	0.473
1,2,4-trichlorobenzene	4.2	8.74	8.72	8.73	5.395	0.732
n-butylbenzene	4.6	11.10	11.07	11.08	7.118	0.852
Triphenylamine	5.7	19.60	19.55	19.57	13.335	1.125
Hexenyl-3-cis salicylate	4.8	11.905	11.892	11.8985	7.714	0.887

Conclusions:

Under the conditions of the study, the partition coefficient of hexenyl-3-cis salicylate was determined to be log Pow 4.8.

Executive summary:

In a GLP-compliant partition-coefficient study conducted in line with OECD 117 and EU Method A.8, the partition-coefficient of hexenyl-3-cis salicylate was determined using the HLPC method. The partition-coefficient was determined to be log Pow 4.8 at 25ºC.

Description of key information

Partition coefficient was determined to be log Pow 4.8 at 25ºC; study conducted in accordance with OECD 117 and EU A.8; Rudio (1996)

Key value for chemical safety assessment

Log Kow (Log Pow):

4.8

at the temperature of:

25 °C

Additional information

In a GLP-compliant partition-coefficient study conducted in line with standardised guidelines, the partition-coefficient of (Z)-3-hexenyl salicylate was determined using the HLPC method. The partition-coefficient was determined to be log Pow 4.8 at 25ºC. As the study was performed to GLP and standardised guidelines, it was allocated a reliability score of 1 and considered to be the key study.

Supporting information was provided in the form of a non-GLP study performed to standardised guidelines and product specification sheets allocated reliability scores of 2 and 4 respectively. The log Pow values are reported as 5.0 and 4.8 respectively.