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Partition coefficient

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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:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to
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.