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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
1995-07-19 to 1995-07-25
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
The study was conducted according to an internationally recognised method. No deviation affected the quality of the study. Purity of the test substance is specified. Therefore full validation applies.
Reason / purpose for cross-reference:
reference to same study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
(1989)
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
(Directive 92/69/EEC)
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:
3
Temp.:
25 °C
Remarks on result:
other: pH not specified
 Reference substances  Log Kow  tR1 tR2  mean tR  k  log k
 Thiourea  --- 1.35 1.35  1.35    
 Aniline  0.9 2.03 2.03  2.03  0.498  -0.302
 Acetophenone  1.7 2.40 2.40 2.40  0.771 -0.113
 Benzophenone  3.2 4.33 4.32  4.33  2.197 0.342
 Naphtalene  3.6 5.24 5.23  5.23  2.866  0.457
 1,2,4 -trichlorobenzene  4.2 8.44 8.42  8.43  5.226  0.718
 n-butylbenzene  4.6 10.68 10.66  10.67  6.884  0.838
 Triphenylamine  5.7 18.77 18.72  18.75  12.849  1.109

tR1, tR2: retention times (1st and 2nd calibration)

k = (tR/t0) -1: capacity factor

t0: dead time = retention time of thiourea

Linear regression parameters: log Kow = a x log k + b

a = 3.264

b = 1.993

r² = 0.995

Test substance:

tR1 = 4.177

tR2 = 4.175

mean tR = 4.176

k = 2.085

log k = 0.319

log Kow = 3.0

Conclusions:
The substance should have low to medium potential for bioaccumulation.
The result hardly reaches the cut-off value for classication in aquatic chronic toxicity, according to Directive 67/548/EEC (DSD) criteria, and is below the threshold according to Regulation (EC) No.1272/2008 (CLP).
Executive summary:

According to OECD/EC HPLC method, a partition coefficient Log Kow of 3.0 was measured for the substance.

Description of key information

The substance should have low to medium potential for bioaccumulation.

The result hardly reaches the cut-off value for classication in aquatic chronic toxicity, according to Directive 67/548/EEC (DSD) criteria, and is below the threshold according to Regulation (EC) No.1272/2008 (CLP).

Key value for chemical safety assessment

Log Kow (Log Pow):
3
at the temperature of:
25 °C

Additional information

A reliable study, conducted according to the OECD guideline, is available. Therefore, it is considered as a key study, and the result is retained for purpose of CSA.