cis-hex-3-en-1-ol

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Study initiation: 29 July 1997. Study completion: 31 July 1997

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: GLP guideline study.

Qualifier:

according to guideline

Guideline:

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

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:

1

Temp.:

35 °C

pH:

ca. 7

Partition coefficient determination by reverse-phase HPLC

Reference substance	Log Pow	tR1	tR2	tRm	k	Log k
Thiourea		1.80	1.80	1.80
Aniline	0.9	2.73	2.74	2.74	0.519	-0.285
Methyl benzoate	2.1	3.65	3.65	3.65	1.025	0.011
Benzophenone	3.2	5.11	5.11	5.11	1.837	0.264
Naphthalene	3.6	5.99	5.99	5.99	2.326	0.367
1,2,4-Trichlorobenzene	4.2	9.19	9.19	9.19	4.101	0.613
n-Butylbenzene	4.6	11.35	11.35	11.35	5.301	0.724
Triphenylamine	5.7	18.62	18.63	18.62	9.340	0.970

 

tR1, tR2, tRm : retention times (1^stcalibration, 2^ndcalibration, average)

k= (tR/t0)-1 : capacity factor, t0: “dead time”, i.e. retention time of thiourea

Linear regression parameters: Log Pow= a * log k + b

Correlation coefficient: r²= 0.99284

Slope: a= 3.7006

Y-axis intercept: b= 2.06285

 

Test substance:

tR1= 2.706 and tR2= 2.707 therefore tRm= 2.7065

k= 0.503 therefore log k= -0.299

log Pow= 1.0

Conclusions:

The partition coefficient of the test substance was measured according to guideline OECD No.117. The partition coefficient n-octanol/water of the test substance was found to be log Pow= 1.0.

The determination was performed at 35 °C (temperature of the column), but this value can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Pow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.

Executive summary:

The partition coefficient n-octanol/ water of the test item was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to OECD Guidelines for Testing Chemicals, Method No. 117.

The result is: Log P_ow= 1.0

Description of key information

The partition coefficient of the test substance was measured according to guideline OECD No.117. The partition coefficient n-octanol/water of the test substance was found to be log Pow= 1.0.

The determination was performed at 35 °C (temperature of the column), but this value can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Pow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.

Key value for chemical safety assessment

Log Kow (Log Pow):

1

at the temperature of:

35 °C

Additional information

The partition coefficient n-octanol/ water of the test item was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to OECD Guidelines for Testing Chemicals, Method No. 117.

The result is: Log P_ow= 1.0