(E)-2-methoxy-4-(prop-1-enyl)phenol

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From July 19, 1995 to February 07, 1996

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 affected the quality of the study. The substance is considered to be adequately characterised with its purity. Therefore full validation applies.

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

Principles of method if other than guideline:

Not applicable

GLP compliance:

yes

Type of method:

HPLC method

Remarks:

Reverse phase HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

2.1

Temp.:

25 °C

Remarks on result:

other: trans isomer

Table 4.7/2: Partition Coefficient Determination by Reverse-Phase HPLC

 

Substance	log Pow	tR1	tR2	tRm	k	log k
Thiourea	-	1.36	1.37	1.36
Aniline	0.9	2.06	2.06	2.06	0.506	-0.295
Acetophenone	1.7	2.47	2.47	2.47	0.807	-0.093
Benzophenone	3.2	4.50	4.49	4.49	2.293	0.360
Naphthalene	3.6	5.44	5.43	5.44	2.984	0.475
1,2,4-trichlorobenzene	4.2	8.76	8.74	8.75	5.414	0.734
n-butylbenzene	4.6	11.12	11.10	11.11	7.141	0.854
Triphenylamine	5.7	19.64	19.60	19.62	13.382	1.127

 

tR1, tR2, tRm : retention times (1^st calibration 2^nd calibration, 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

r2 = 0.996

a = 3.254

b = 1.945

 

Test substance:

tR1 = 2.93

tR2 = 2.929

tRm = 2.9295

k = 1.147

log k = 0.060

log P_ow= 2.1

Conclusions:

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

Executive summary:

The partition coefficient of the test substance was measured according to the OECD 117/EU A8 guideline, reverse phase HPLC method. The system was calibrated with 7 reference substances, with log P_ow ranging between 0.9 and 5.7. The result was interpolated from the linear regression.

 

Partition coefficient (log Pow) = 2.1 at 25°C

Description of key information

The data is relevant for classification in aquatic chronic toxicity hazard class, according to CLP criteria. The substance has LOW potential for bioaccumulation (log Kow<4). 

Key value for chemical safety assessment

Log Kow (Log Pow):

2.1

at the temperature of:

25 °C

Additional information

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